SCHEMBL9765672

SCHEMBL9765672

CCOCCOc1nc(Cl)nc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.36
KDM4E B2RXH2 1/20 0.35
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
MAPK14 Q16539 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
LMNA P02545 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
RARA P10276 1/20 0.30

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
SCHEMBL13934335 0.89 NCF1 (0.33) NCF1RARARARBRARG
SCHEMBL6271267 0.87 ALDH1A1 (0.40) KDM4EALDH1A1TSHRALOX15CA12
SCHEMBL11136043 0.87 ALDH1A1 (0.40) KDM4EALDH1A1TSHRALOX15CA12
SCHEMBL11138006 0.84 ALDH1A1 (0.47) KDM4ENFKB1ALDH1A1TSHRALOX15
SCHEMBL1370622 0.80 ALDH1A1 (0.38) KDM4ENFKB1ALDH1A1TSHRALOX15
SCHEMBL14566120 0.80 KMT2A (0.44) ALDH1A1L3MBTL1LMNARARB
SCHEMBL29106745 0.78 ALDH1A1 (0.42) NCF1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL18470127 0.78 MEN1 (0.44) ALDH1A1TSHRALOX15L3MBTL1LMNA
SCHEMBL17997013 0.78
SCHEMBL17564558 0.78 MEN1 (0.44) ALDH1A1TSHRALOX15L3MBTL1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012716-B1 MONOCHLOROTRIAZINE DYESTUFFS OF THE PYRAZOLONE SERIES, THEIR PREPARATION AND THEIR USE FOR DYEING AND PRINTING TEXTILE MATERIALS CIBA-GEIGY AG (CH) 1983-06-15 EP claimed
US-5047514-A Bireactive primary disazo dyes containing 1-amino-8-hydroxynaphthalene-3,6 Disulfonic acid as coupling component CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
US-4939243-A Water-soluble copper complex disazo compounds containg a chloro triazinylamino group and a group of the vinylsulfone series as fiber-reactive groups and their dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
US-4713082-A Process for dyeing or printing textile fibre materials with reactive dye containing vinyl sulfonyl-type group and chloro-triazinyl amino group CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
US-4348318-A DYEING AND PRINTING TEXTILES; MONOAZO, TRIAZINE, HYDRAZONE, AND PYRAZOLONE DYES CIBA-GEIGY CORPORATION (US) 1982-09-07 US disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 US disclosed
US-4270918-A METALLIZED TRIAZINE-FUNCTIONAL MONOAZO DYE CIBA-GEIGY CORPORATION (US) 1981-06-02 US 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