SCHEMBL14760447

SCHEMBL14760447

CCc1cc(Cc2ccccc2)[nH]c(=O)c1CNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 1/20 0.41
DAO P14920 1/20 0.41
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL14716612 0.87 ALDH1A1 (0.46) EEDRBBP4SUZ12AEBP2ALDH1A1
SCHEMBL14716843 0.82 EED (0.60) EEDRBBP4SUZ12AEBP2PDE3B
SCHEMBL15797726 0.80 CYP1A2 (0.44) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL15174113 0.78 EED (0.46) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL14734270 0.73 EZH2 (0.41) EEDRBBP4SUZ12AEBP2PDE3B
SCHEMBL2594511 0.70 PARP1 (0.50) ALDH1A1KDM4EADORA1DAOPARP1
SCHEMBL9887612 0.69 EED (0.53) EEDRBBP4SUZ12AEBP2PDE3B
SCHEMBL9277469 0.69 LMNA (0.45) ALDH1A1KDM4EHSD17B10ADORA1PARP1
Hydrochloric Acid SCHEMBL2594087 0.69 PARP1 (0.49) ALDH1A1KDM4EADORA1DAOPARP1
SCHEMBL9286770 0.68 PARP1 (0.51) ALDH1A1KDM4EHPGDADORA1DAO

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-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed