SCHEMBL3724899

SCHEMBL3724899

O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.59
ACLY P53396 5/20 0.59
PTK2B Q14289 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.53
PTPN1 P18031 1/20 0.53
SLC16A3 O15427 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL13076401 0.89 THRB (0.55) FABP4ACLYPTK2BSMN1; SMN2KDM4E
SCHEMBL24102246 0.87 KMT2A (0.61) FABP4ACLYKDM4ETSHRKMT2A
SCHEMBL29534969 0.87 KMT2A (0.61) FABP4ACLYKDM4ETSHRKMT2A
SCHEMBL3727556 0.87 ACLY (0.57) FABP4ACLYPTK2BSMN1; SMN2KDM4E
SCHEMBL3717038 0.84 CYP2C9 (0.60) FABP4ACLYKDM4ETSHRKMT2A
SCHEMBL398719 0.82 KDM4E (0.71) ACLYPTK2BKDM4ETSHRKMT2A
SCHEMBL3718315 0.82 KDM4E (0.70) FABP4PTK2BSMN1; SMN2KDM4ETSHR
SCHEMBL17331322 0.82 CYP2C9 (0.60) FABP4PTK2BKDM4ETSHRKMT2A
SCHEMBL6394653 0.81 GRM4 (0.57) ACLYTSHRKMT2A
SCHEMBL3726033 0.80 SLC22A12 (0.65) FABP4ACLYPTK2BSMN1; SMN2KMT2A

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
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed