SCHEMBL21574554

SCHEMBL21574554

C[S@@+]([O-])c1ccc(-c2nc(-c3cccc(I)c3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.62
▸ MAPK14 Q16539 17/20 0.56
▸ CSNK1D P48730 3/20 0.56
▸ CSNK1E P49674 3/20 0.56
▸ MAPK13 O15264 9/20 0.54
▸ MAPK12 P53778 9/20 0.54
▸ MAPK11 Q15759 9/20 0.54
▸ RAF1 P04049 7/20 0.54
▸ BRAF P15056 1/20 0.54
▸ BRDT Q58F21 1/20 0.54
▸ GCGR P47871 1/20 0.54
▸ MAPK9 P45984 1/20 0.53

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
SCHEMBL155371 1.00 ALOX5 (0.62) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL21068026 0.97 ALOX5 (0.58) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL15606600 0.89 MAPK14 (0.71) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL4565197 0.88 MAPK14 (0.72) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6447875 0.87 MAPK13 (0.72) ALOX5MAPK14CSNK1DMAPK13MAPK12
SCHEMBL4552055 0.86 MAPK14 (0.76) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6926311 0.85 TEK (0.65) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL7146991 0.82 MAPK14 (0.80) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6605306 0.81 MAPK14 (0.68) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6449407 0.81 MAPK14 (0.77) ALOX5MAPK14CSNK1DCSNK1EMAPK13

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
EP-3569636-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND A METHOD FOR THE PROPHYLAXIS AND TREATMENT OF THE ADHESION PROCESS Joint Stock Company "Pharmasyntez" (RU) 2019-11-20 — — EP disclosed
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