SCHEMBL19390928

SCHEMBL19390928

CCNc1cccc(C(=O)NCc2c(CC)[nH]n(C)c2=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ EZH2 Q15910 8/20 0.39
▸ EED O75530 1/20 0.38
▸ RBBP4 Q09028 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ AEBP2 Q6ZN18 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ MT-CO2 P00403 4/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL19390952 0.89 ALOX5 (0.41) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391189 0.85 EZH2 (0.43) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391175 0.85 KDM4E (0.39) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391112 0.83 EZH2 (0.48) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19391004 0.83 EZH2 (0.41) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19390670 0.83 EZH2 (0.42) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391127 0.81 EZH2 (0.43) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391186 0.79 EZH2 (0.45) ALOX5EZH2EEDRBBP4SUZ12
SCHEMBL19391195 0.78 EZH2 (0.38) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19390662 0.78 EZH2 (0.40) ALOX5EZH2EEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
Send feedback