SCHEMBL3720429

SCHEMBL3720429

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 2/20 0.81
▸ CTNNB1 P35222 2/20 0.81
▸ ALDH1A1 P00352 4/20 0.76
▸ CYP19A1 P11511 1/20 0.74
▸ POLB P06746 3/20 0.72
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ HTT P42858 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PFKFB3 Q16875 1/20 0.60
▸ WDR5 P61964 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ NPC1 O15118 1/20 0.58

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
SCHEMBL788335 0.90 TCF4 (0.66) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL3551591 0.89 ALDH1A1 (0.65) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL16116951 0.89 TCF4 (1.00) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL2823113 0.88 TCF4 (0.67) TCF4CTNNB1ALDH1A1CYP19A1MEN1
SCHEMBL788025 0.88 PFKFB3 (0.77) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL6834499 0.86 TCF4 (0.72) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL13532190 0.86 MEN1 (0.71) TCF4CTNNB1ALDH1A1MEN1KMT2A
SCHEMBL11025715 0.85 POLB (0.78) TCF4CTNNB1ALDH1A1POLBMEN1
SCHEMBL6833462 0.84 TCF4 (0.69) TCF4CTNNB1ALDH1A1CYP19A1POLB
SCHEMBL6833460 0.84 TCF4 (0.69) TCF4CTNNB1ALDH1A1CYP19A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015016293-A1 (BENZENESULFONYLAMINO)BENZAMIDE DERIVATIVE, AND SHIP2 INHIBITOR CONTAINING SAME AS ACTIVE INGREDIENT 国立大学法人 富山大学 (JP) 2015-02-05 — — WO disclosed
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
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