SCHEMBL9926244

SCHEMBL9926244

Cc1ccccc1-n1c(/C=C/c2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccc(S(C)(=O)=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 1.00
TNKS2 Q9H2K2 10/20 1.00
SULT2A1 Q06520 1/20 0.85
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ATR Q13535 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SLC6A9 P48067 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 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
SCHEMBL35212190 0.92 TNKS2 (1.00) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9904845 0.92 TNKS2 (1.00) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL29372843 0.92 TNKS2 (1.00) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9904844 0.92 TNKS2 (1.00) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL23772382 0.84 TNKS (0.86) TNKSTNKS2SULT2A1HPGDSMN1; SMN2
SCHEMBL9905155 0.84 TNKS (0.86) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL9905154 0.84 TNKS (0.86) TNKSTNKS2SULT2A1MAOAMAOB
SCHEMBL15449894 0.83 TNKS (0.84) TNKSTNKS2SULT2A1HPGDSMN1; SMN2
SCHEMBL9926210 0.81 TNKS2 (0.81) TNKSTNKS2SULT2A1PIM1PIM2
SCHEMBL15449840 0.81 TNKS (0.74) TNKSTNKS2SULT2A1MAOAMAOB

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