SCHEMBL3726033

SCHEMBL3726033

O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.65
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63
FABP4 P15090 1/20 0.57
ACLY P53396 7/20 0.57
PTK2B Q14289 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALKBH2 Q6NS38 1/20 0.54
ALKBH3 Q96Q83 1/20 0.54
FTO Q9C0B1 1/20 0.54
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3724899 0.80 FABP4 (0.59) ALDH1A1KMT2AFABP4ACLYPTK2B
SCHEMBL3720283 0.80 SLC22A12 (0.62) SLC22A12MEN1ALDH1A1KMT2AFABP4
SCHEMBL27791538 0.78 ALDH1A1 (1.00) SLC22A12MEN1ALDH1A1KMT2AFABP4
SCHEMBL16645353 0.76 MEN1 (0.61) SLC22A12MEN1ALDH1A1KMT2APTK2B
SCHEMBL3553632 0.75 SLC16A3 (0.68) SLC22A12MEN1ALDH1A1KMT2AALKBH2
SCHEMBL3562163 0.75 SLC16A3 (0.71) SLC22A12MEN1ALDH1A1KMT2AALKBH2
SCHEMBL3566896 0.75 SLC16A3 (0.61) SLC22A12MEN1ALDH1A1KMT2AALKBH2
SCHEMBL3557901 0.74 SLC16A3 (0.64) SLC22A12MEN1ALDH1A1KMT2AALKBH2
SCHEMBL3555598 0.74 PKLR (0.58) SLC22A12MEN1ALDH1A1KMT2APTK2B
SCHEMBL27681 0.74 ALDH1A1 (0.61) SLC22A12MEN1ALDH1A1KMT2A

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