SCHEMBL9926245

SCHEMBL9926245

Cc1ccccc1-n1c(/C=C/C(=O)O)nnc1-c1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 8/20 0.60
▸ TNKS2 Q9H2K2 8/20 0.60
▸ SULT2A1 Q06520 1/20 0.50
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ AR P10275 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9902076 0.90 TNKS (0.61) TNKSTNKS2SULT2A1KMT2ACA2
SCHEMBL9902075 0.90 TNKS (0.61) TNKSTNKS2SULT2A1KMT2ACA2
SCHEMBL9926243 0.81 TNKS (0.62) TNKSTNKS2SULT2A1
SCHEMBL9905131 0.76 TNKS (0.46) TNKSTNKS2SULT2A1
SCHEMBL9905133 0.76 TNKS (0.46) TNKSTNKS2SULT2A1
SCHEMBL9926244 0.76 TNKS (1.00) TNKSTNKS2SULT2A1HPGDCA2
SCHEMBL15449870 0.75 TNKS (0.46) TNKSTNKS2SULT2A1KMT2ACA2
SCHEMBL9905418 0.75 TNKS (0.52) TNKSTNKS2SULT2A1GAAMAPT
SCHEMBL9905416 0.75 TNKS (0.52) TNKSTNKS2SULT2A1GAAMAPT
SCHEMBL9901468 0.73 TNKS (0.63) TNKSTNKS2SULT2A1ALDH1A1SMN1; SMN2

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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