SCHEMBL4526549

SCHEMBL4526549

C[S+]([O-])c1ccc(-c2nc(-c3ccccn3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
MAPK14 Q16539 15/20 0.50
MAPK11 Q15759 14/20 0.50
MAPK13 O15264 13/20 0.50
GCGR P47871 13/20 0.50
MAPK12 P53778 13/20 0.50
ALOX5 P09917 9/20 0.50
CSNK1A1 P48729 4/20 0.48
CSNK1D P48730 4/20 0.48
PRKD3 O94806 3/20 0.48
MAP4K4 O95819 3/20 0.48
FRK P42685 3/20 0.48
MAPK9 P45984 3/20 0.48
GSK3B P49841 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
PRKD2 Q9BZL6 2/20 0.48
PTK6 Q13882 2/20 0.48
ALDH1A1 P00352 2/20 0.45
CSNK1E P49674 2/20 0.45
CSNK1A1L Q8N752 2/20 0.45

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
SCHEMBL29406707 0.91 TGFBR1 (0.64) TGFBR1MAPK14MAPK11MAPK13GCGR
SCHEMBL6581555 0.81 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12GSK3B
Sb-203580 SCHEMBL146399 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
Sb-203580 SCHEMBL27075368 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
Sb-203580 SCHEMBL25800837 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
Sb-203580 SCHEMBL95208 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
SCHEMBL9192799 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
Sb-203580 SCHEMBL220990 0.81 MAPK11 (0.75) TGFBR1MAPK14MAPK11MAPK13GCGR
Sb-203580 SCHEMBL4890447 0.80 MAPK11 (0.73) TGFBR1MAPK14MAPK11MAPK13GCGR
SCHEMBL6249453 0.77 MAPK11 (0.56) MAPK14MAPK11MAPK13GCGRMAPK12

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
US-7537887-B2 Net, a transcription factor of the TCF family, as regulator of angiogenic factor expression AVENTIS PHARMA S.A. (FR) 2009-05-26 US disclosed