SCHEMBL3720283

SCHEMBL3720283

O=C(O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.62
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
FABP4 P15090 2/20 0.57
WDR5 P61964 1/20 0.57
FABP5 Q01469 1/20 0.57
HSD11B1 P28845 1/20 0.56
ALKBH2 Q6NS38 1/20 0.56
ALKBH3 Q96Q83 1/20 0.56
FTO Q9C0B1 1/20 0.56
POLB P06746 1/20 0.56
PFKFB3 Q16875 1/20 0.55
PTK2B Q14289 1/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL3556993 0.90 SLC22A12 (0.54) SLC22A12ALDH1A1MEN1KMT2AFABP4
SCHEMBL3555827 0.84 PKLR (0.53) SLC22A12ALDH1A1MEN1KMT2AALKBH2
SCHEMBL3562430 0.84 IDH1 (0.53) SLC22A12ALDH1A1MEN1KMT2AALKBH2
SCHEMBL3769130 0.83 SLC22A12 (0.70) SLC22A12ALDH1A1MEN1KMT2A
SCHEMBL4397021 0.81 FABP4 (0.62) ALDH1A1MEN1KMT2AFABP4WDR5
SCHEMBL3560911 0.80 MEN1 (0.57) SLC22A12ALDH1A1MEN1KMT2A
SCHEMBL13811849 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AFABP4WDR5
SCHEMBL3726033 0.80 SLC22A12 (0.65) SLC22A12ALDH1A1MEN1KMT2AFABP4
SCHEMBL3555598 0.79 PKLR (0.58) SLC22A12ALDH1A1MEN1KMT2AALKBH2
SCHEMBL5212720 0.78 HTR1F (0.53) SLC22A12HSD11B1LMNA

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