SCHEMBL6504802

SCHEMBL6504802

COc1ccccc1CNC(=O)c1ccc(-c2ccccc2)c(CC2SC(=O)NC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ROCK2 O75116 7/20 0.55
ROCK1 Q13464 7/20 0.55
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 1/20 0.48
PPARG P37231 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL6496500 0.86 HPGD (0.53) HTTROCK2ROCK1LMNATP53
SCHEMBL6503843 0.85 MAPT (0.48) HTTROCK2ROCK1LMNATP53
SCHEMBL6495951 0.78 HPGD (0.53) HTTLMNAMAPTGAAHPGD
SCHEMBL6505651 0.77 HPGD (0.49) HTTLMNAMAPTGAAHPGD
SCHEMBL13846776 0.76 CA2 (0.69) LMNAMAPTPOLBGAAPPARG
SCHEMBL6497335 0.76 MEN1 (0.53) HTTLMNAMAPTPOLBGAA
SCHEMBL6498811 0.76 HPGD (0.48) HTTROCK2ROCK1LMNATP53
SCHEMBL2176934 0.74 EPHX2 (0.53) ROCK2ROCK1TP53MAPTPPARG
SCHEMBL6498700 0.74 HPGD (0.47) HTTROCK2ROCK1LMNAMAPT
SCHEMBL6503004 0.73 HPGD (0.46) HTTROCK2ROCK1LMNATP53

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