SCHEMBL4008937

SCHEMBL4008937

O=S(=O)(O)c1c(Cl)cc(-c2ccc3[nH]ncc3c2)c(-c2cc3ccccc3[nH]2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 0.48
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CDC7 O00311 3/20 0.40
▸ FABP4 P15090 2/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ MAPK13 O15264 1/20 0.39

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
SCHEMBL4009389 0.76 CDC7 (0.44) TRPA1CDC7FABP4FABP3FABP5
SCHEMBL4008240 0.73 TRPA1 (0.49) TRPA1CDC7CLK2GSK3BCDK5
SCHEMBL4008940 0.71 ITK (0.50) CLK2DYRK1ACLK3FGFR1CDK2
SCHEMBL4008930 0.65 SCN9A (0.36) FGFR1
Indazole SCHEMBL4583780 0.64 HSP90AA1 (0.76) MEN1KMT2ACLK2GSK3BCDK5
SCHEMBL22001065 0.64 FGFR1 (0.61) MEN1KMT2ACLK2GSK3BCDK5
SCHEMBL23783032 0.62 TRPA1 (0.59) TRPA1CLK2GSK3BCDK5DYRK1A
SCHEMBL9818507 0.62 CA2 (0.72) MEN1KMT2A
SCHEMBL27663175 0.62 TRPA1 (0.68) TRPA1CDC7CLK2GSK3BCDK5
Indazole SCHEMBL27577839 0.61 HSP90AA1 (0.70) TRPA1MEN1KMT2ACLK2GSK3B

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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US claimed
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