SCHEMBL6494417

SCHEMBL6494417

Cc1sc(-c2ccccc2)nc1C(=O)NCc1cc(CC2SC(=O)NC2=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 5/20 0.40
PARP1 P09874 1/20 0.40
PPARG P37231 5/20 0.39
PTPN1 P18031 1/20 0.38
MAOA P21397 2/20 0.38
CISD1 Q9NZ45 2/20 0.38
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6530838 0.89 PTPN1 (0.48) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL6497143 0.70 PTPN1 (0.48) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL6494414 0.70 FFAR1 (0.48) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL6497330 0.68 PTPN1 (0.48) ALDH1A1NPSR1FFAR1PPARGPTPN1
SCHEMBL6374920 0.67 PPARA (0.57) ALDH1A1FFAR1PPARGPTPN1
SCHEMBL8981787 0.67 PPARG (0.43) ALDH1A1FFAR1PPARGMAOACISD1
SCHEMBL9370917 0.67 MAPT (0.52) PPARGMAPT
SCHEMBL8981776 0.67 PPARG (0.43) ALDH1A1FFAR1PPARGMAOACISD1
SCHEMBL8981782 0.67 PPARG (0.43) ALDH1A1FFAR1PPARGMAOACISD1
SCHEMBL6494478 0.67 PTPN1 (0.47) ALDH1A1NPSR1FFAR1PPARGPTPN1

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