SCHEMBL9680119

SCHEMBL9680119

Cc1c(N)cc(N)cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 6/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 1/20 0.46
RECQL P46063 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CASP6 P55212 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
ELAVL1 Q15717 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.40
NSD2 O96028 1/20 0.38
APEX1 P27695 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11337312 0.89 ALDH1A1 (0.50) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL11038082 0.83 ALDH1A1 (0.47) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL1365040 0.83 ALDH1A1 (0.46) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9284940 0.83 BRD4 (0.37) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9318932 0.83 KDM4E (0.45) TDP1KDM4EMEN1KMT2AALDH1A1
Sulfuric Acid SCHEMBL11858956 0.82 KDM4E (0.54) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9337500 0.82 ALDH1A1 (0.49) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL17262959 0.82 BRD4 (0.40) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL10597827 0.80 CA1 (0.39) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL176785 0.80 ALDH1A1 (0.44) TDP1KDM4EMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4916215-A Water-soluble disazo compounds containing substituted triazinyl radical, pyrazole-type groups, and a plurality of fiber-reactive sulfone-containing groups, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-10 US disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
US-4719053-A FOR DYES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0126265-B1 REACTIVE DYES BASF Aktiengesellschaft (DE) 1986-10-29 EP disclosed
EP-0078009-A1 Water-soluble pyridone azo compounds; process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-04 EP disclosed
EP-0001451-B1 WATER-SOLUBLE AZO-PHTHALOCYANINE FIBRE-REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-09-23 EP disclosed
EP-0001629-B1 WATER-SOLUBLE, FIBRE-REACTIVE, GREEN AZO-PHTHALOCYANINE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-08-12 EP disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001629-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed