SCHEMBL6503028

SCHEMBL6503028

COc1cc(Cl)c(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
CA2 P00918 1/20 0.46
KMT2A Q03164 2/20 0.44
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK8 P45983 1/20 0.42
P2RX7 Q99572 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RCE1 Q9Y256 1/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL6506747 0.93 CA2 (0.48) PDE10ACA2KMT2AROCK2ROCK1
SCHEMBL6495876 0.89 HPGD (0.44) PDE10AKMT2AHPGDALDH1A1P2RX7
SCHEMBL6495951 0.85 HPGD (0.53) PDE10ACA2KMT2AHPGDALDH1A1
SCHEMBL6494246 0.83 LMNA (0.44) PDE10ACA2KMT2AROCK2ROCK1
SCHEMBL6501926 0.81 KMT2A (0.45) PDE10ACA2KMT2AROCK2ROCK1
SCHEMBL6498811 0.81 HPGD (0.48) PDE10ACA2KMT2AROCK2ROCK1
SCHEMBL6506024 0.78 MAPT (0.47) PDE10ACA2KMT2AROCK2ROCK1
SCHEMBL6502341 0.77 EPHX2 (0.44) PDE10AKMT2AHPGDALDH1A1LMNA
SCHEMBL6505651 0.77 HPGD (0.49) PDE10ACA2KMT2AHPGDALDH1A1
SCHEMBL6494454 0.77 HPGD (0.45) PDE10AKMT2AHPGDALDH1A1LMNA

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