SCHEMBL8262611

SCHEMBL8262611

COOCc1ccc(C)c(-c2ccc(C(=O)Nc3ccncc3C)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 3/20 0.69
▸ S1PR2 O95136 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ MAPK11 Q15759 11/20 0.41
▸ MAPK14 Q16539 11/20 0.41
▸ MAPK13 O15264 6/20 0.41
▸ MAPK12 P53778 6/20 0.41
▸ STIM1 Q13586 2/20 0.41
▸ ORAI1 Q96D31 2/20 0.41
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL8263025 0.92 IL2 (0.66) IL2MAPK11MAPK14MAPK13MAPK12
SCHEMBL8263035 0.91 IL2 (0.66) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL8263026 0.83 IL2 (0.65) IL2MAPK11MAPK14MAPK13MAPK12
SCHEMBL8262108 0.83 IL2 (0.56) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL5273629 0.82 IL2 (1.00) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL5274000 0.80 IL2 (0.83) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL5270337 0.79 IL2 (0.82) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL8261510 0.79 IL2 (0.79) IL2S1PR2S1PR4MAPK11MAPK14
SCHEMBL8263089 0.78 IL2 (0.68) IL2S1PR2S1PR4STIM1ORAI1
SCHEMBL8261504 0.78 IL2 (0.68) IL2S1PR2S1PR4MAPK11MAPK14

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-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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