SCHEMBL9926243

SCHEMBL9926243

Cc1ccccc1-n1c(/C=C/C(=O)NNC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.62
▸ TNKS2 Q9H2K2 8/20 0.62
▸ SULT2A1 Q06520 1/20 0.53
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SLC6A9 P48067 2/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ PTPN22 Q9Y2R2 1/20 0.32
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31

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
SCHEMBL9901468 0.92 TNKS (0.63) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9901470 0.92 TNKS (0.63) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9905418 0.84 TNKS (0.52) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9905416 0.84 TNKS (0.52) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9926245 0.81 TNKS (0.60) TNKSTNKS2SULT2A1
SCHEMBL9926183 0.78 TNKS2 (0.46) TNKSTNKS2SULT2A1EPHX2PRKAA2
SCHEMBL9926244 0.77 TNKS (1.00) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9905220 0.76 TNKS (0.62) TNKSTNKS2SULT2A1
SCHEMBL9905223 0.76 TNKS (0.62) TNKSTNKS2SULT2A1
SCHEMBL9904973 0.75 TNKS2 (0.43) TNKSTNKS2SULT2A1

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-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 — — WO disclosed
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