SCHEMBL6497330

SCHEMBL6497330

COc1ccc(CC2SC(=O)NC2=O)cc1CNC(=O)c1cccc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
PPARG P37231 5/20 0.43
CYP2C9 P11712 3/20 0.43
MPC2 O95563 2/20 0.43
CYP2C8 P10632 2/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NOD2 Q9HC29 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 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
SCHEMBL6527076 0.81 PPARG (0.49) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6496044 0.81 PTPN1 (0.47) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6530838 0.80 PTPN1 (0.48) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6497143 0.80 PTPN1 (0.48) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6497335 0.79 MEN1 (0.53) CYP2C9CA2ALDH1A1HPGDNPSR1
SCHEMBL6506168 0.78 PPARD (0.61) PTPN1PPARG
SCHEMBL6494429 0.78 PTPN1 (0.53) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6494478 0.77 PTPN1 (0.47) PTPN1PPARGCYP2C9MPC2CYP2C8
SCHEMBL6502439 0.76 PPARD (0.61) PTPN1PPARG
SCHEMBL13524847 0.75 PTPN1 (0.51) PTPN1PPARGCYP2C9MPC2CYP2C8

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