SCHEMBL9926183

SCHEMBL9926183

N#Cc1ccc(C(=O)NNC(=O)/C=C/c2nnc(-c3ccc(C(=O)C(F)(F)F)cn3)n2-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 9/20 0.46
▸ TNKS O95271 8/20 0.46
▸ SULT2A1 Q06520 1/20 0.46
▸ MLYCD O95822 1/20 0.36
▸ PRKAA2 P54646 2/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ CTSG P08311 1/20 0.31
▸ CTRB1 P17538 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
SCHEMBL15452796 0.88 TNKS2 (0.43) TNKS2TNKSSULT2A1ALDH1A1MAPT
SCHEMBL9904973 0.88 TNKS2 (0.43) TNKS2TNKSSULT2A1ALDH1A1MAPT
SCHEMBL9901468 0.85 TNKS (0.63) TNKS2TNKSSULT2A1PRKAA2ALDH1A1
SCHEMBL9901470 0.85 TNKS (0.63) TNKS2TNKSSULT2A1PRKAA2ALDH1A1
SCHEMBL9926208 0.83 TNKS (0.41) TNKS2TNKSSULT2A1GAA
SCHEMBL9926243 0.78 TNKS (0.62) TNKS2TNKSSULT2A1PRKAA2EPHX2
SCHEMBL9905418 0.77 TNKS (0.52) TNKS2TNKSSULT2A1GAAALDH1A1
SCHEMBL9905416 0.77 TNKS (0.52) TNKS2TNKSSULT2A1GAAALDH1A1
SCHEMBL15452817 0.70 TNKS (0.51) TNKS2TNKSSULT2A1PRKAA2EPHX2
SCHEMBL9905223 0.70 TNKS (0.62) TNKS2TNKSSULT2A1ALDH1A1MAPT

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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