SCHEMBL16430156

SCHEMBL16430156

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(Br)cc(F)cc3Br)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.62
▸ CTNNB1 P35222 1/20 0.62
▸ CYP19A1 P11511 1/20 0.56
▸ EGFR P00533 4/20 0.54
▸ FGFR1 P11362 4/20 0.54
▸ KDR P35968 4/20 0.54
▸ AVPR2 P30518 1/20 0.53
▸ GPR27 Q9NS67 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ THRB P10828 2/20 0.49

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
SCHEMBL16430714 0.87 TCF4 (0.67) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16431446 0.83 TCF4 (0.65) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16430506 0.83 TCF4 (0.67) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL27180756 0.80 TCF4 (0.69) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL30926654 0.80 TCF4 (0.69) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16430504 0.80 TCF4 (0.69) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16430746 0.80 TCF4 (0.62) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL2823113 0.79 TCF4 (0.67) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16431480 0.79 TCF4 (0.61) TCF4CTNNB1CYP19A1EGFRFGFR1
SCHEMBL16430750 0.78 EGFR (0.61) TCF4CTNNB1CYP19A1EGFRFGFR1

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 1 patent. 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
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