SCHEMBL4008240

SCHEMBL4008240

O=S(=O)(O)c1ccc(-c2ccc3[nH]ncc3c2)c(-c2cc3ccccc3[nH]2)c1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 14/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ CDC7 O00311 2/20 0.37
▸ CLK2 P49760 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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 0.77 CDC7 (0.44) TRPA1TRPM8CDC7CLK2GSK3B
SCHEMBL4008243 0.74 ITK (0.48) TRPA1CLK2DYRK1ACLK3FGFR1
SCHEMBL4008937 0.73 TRPA1 (0.48) TRPA1TRPM8CDC7CLK2GSK3B
SCHEMBL4008236 0.68 NR3C1 (0.38) TRPA1
SCHEMBL4009386 0.62 ITK (0.56) CLK2DYRK1ACLK3FGFR1CDK2
SCHEMBL9818427 0.62 KDR (0.54) —
SCHEMBL23783032 0.62 TRPA1 (0.59) TRPA1TRPM8CLK2GSK3BCDK5
SCHEMBL20267944 0.61 TRPA1 (1.00) TRPA1TRPM8
Indazole SCHEMBL4583780 0.61 HSP90AA1 (0.76) CLK2GSK3BCDK5DYRK1ACLK4
SCHEMBL702063 0.61 RAB9A (0.65) TRPA1

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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