SCHEMBL6506747

SCHEMBL6506747

COc1cc(Cl)c(C(=O)NCc2ccccc2F)cc1CC1SC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
PDE10A Q9Y233 2/20 0.47
KMT2A Q03164 2/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
HPGD P15428 3/20 0.43
MAPK8 P45983 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
P2RX7 Q99572 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RCE1 Q9Y256 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL6503028 0.93 PDE10A (0.47) CA2PDE10AKMT2AROCK2ROCK1
SCHEMBL6495951 0.93 HPGD (0.53) CA2PDE10AKMT2AHPGDALDH1A1
SCHEMBL6495876 0.89 HPGD (0.44) PDE10AKMT2AHPGDALDH1A1MAPT
SCHEMBL6494246 0.83 LMNA (0.44) CA2PDE10AKMT2AROCK2ROCK1
SCHEMBL6501926 0.81 KMT2A (0.45) CA2PDE10AKMT2AROCK2ROCK1
SCHEMBL6494454 0.79 HPGD (0.45) PDE10AKMT2AHPGDALDH1A1MAPT
SCHEMBL6498811 0.78 HPGD (0.48) CA2PDE10AKMT2AROCK2ROCK1
SCHEMBL6506024 0.78 MAPT (0.47) CA2PDE10AKMT2AROCK2ROCK1
SCHEMBL6502341 0.77 EPHX2 (0.44) PDE10AKMT2AHPGDALDH1A1MAPT
SCHEMBL6505651 0.77 HPGD (0.49) CA2PDE10AKMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed