SCHEMBL7888404

SCHEMBL7888404

CC(=O)NCCn1c(O)cc(C)c(S(=O)(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
ALDH1A1 P00352 7/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLK1 P53350 1/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL9160199 0.82 KDM4E (0.40) KDM4ETP53GAANPSR1MEN1
SCHEMBL11242010 0.82 KDM4E (0.46) KDM4ETP53GAANPSR1MEN1
SCHEMBL7891026 0.80 MEN1 (0.42) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL11339850 0.80 KDM4E (0.42) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL11051169 0.80 KDM4E (0.41) KDM4ENPSR1ALDH1A1HSD17B10MAPT
SCHEMBL11053467 0.79 ALDH1A1 (0.33) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL7893081 0.78 KDM4E (0.43) KDM4ETP53GAANPSR1MEN1
SCHEMBL7893080 0.78 KDM4E (0.48) KDM4ETP53GAANPSR1MEN1
SCHEMBL11290276 0.78 ALDH1A1 (0.49) KDM4EGAANPSR1MEN1KMT2A
SCHEMBL6875333 0.77 KDM4E (0.40) KDM4ENPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177552-B1 CONTAINING (((VINYLSULFONYL)ALKYLAMINO)ALKYLSULFONYL)PHENYLAZO GROUPS DYSTARTEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-01-23 US disclosed
EP-0489360-B1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AG (DE) 1995-09-20 EP disclosed
EP-0399411-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-07-13 EP disclosed
EP-0381133-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-03-02 EP disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0489360-A1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-10 EP disclosed
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0399411-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
EP-0381133-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-08 EP disclosed
EP-0078024-B1 WATER-SOLUBLE PYRIDONE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed