SCHEMBL9926208

SCHEMBL9926208

O=C(O)/C=C/c1nnc(-c2ccc(C(=O)C(F)(F)F)cn2)n1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 6/20 0.41
▸ TNKS2 Q9H2K2 6/20 0.41
▸ SULT2A1 Q06520 1/20 0.41
▸ P2RX7 Q99572 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL15449870 0.83 TNKS (0.46) TNKSTNKS2SULT2A1P2RX7KMT2A
SCHEMBL9926183 0.83 TNKS2 (0.46) TNKSTNKS2SULT2A1GAA
SCHEMBL9905448 0.82 TNKS2 (0.39) TNKSTNKS2SULT2A1CYP1A2CYP2C9
SCHEMBL9905446 0.82 TNKS2 (0.39) TNKSTNKS2SULT2A1CYP1A2CYP2C9
SCHEMBL9902075 0.79 TNKS (0.61) TNKSTNKS2SULT2A1KMT2ACA2
SCHEMBL9902076 0.79 TNKS (0.61) TNKSTNKS2SULT2A1KMT2ACA2
SCHEMBL9904973 0.70 TNKS2 (0.43) TNKSTNKS2SULT2A1KMT2A
SCHEMBL15452796 0.70 TNKS2 (0.43) TNKSTNKS2SULT2A1KMT2A
SCHEMBL9905416 0.69 TNKS (0.52) TNKSTNKS2SULT2A1GAA
SCHEMBL9905418 0.69 TNKS (0.52) TNKSTNKS2SULT2A1GAA

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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