SCHEMBL8263040

SCHEMBL8263040

C=C/C=C(\SC)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3F)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.46
▸ STIM1 Q13586 3/20 0.36
▸ ORAI1 Q96D31 3/20 0.36
▸ ABL1 P00519 3/20 0.33
▸ TRPC1 P48995 1/20 0.33
▸ TRPC3 Q13507 1/20 0.33
▸ CRACR2A Q9BSW2 2/20 0.32
▸ IKBKE Q14164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8263029 0.92 IL2 (0.44) IL2ABL1IKBKETBK1
SCHEMBL8263031 0.89 IL2 (0.55) IL2STIM1ORAI1ABL1
SCHEMBL8262099 0.87 IL2 (0.47) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8262623 0.83 IL2 (0.46) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8258483 0.83 IL2 (0.55) IL2STIM1ORAI1ABL1CRACR2A
SCHEMBL8263043 0.82 IL2 (0.49) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8262993 0.81 IL2 (0.47) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8262107 0.79 IL2 (0.45) IL2ABL1IKBKETBK1
SCHEMBL8264012 0.79 IL2 (0.49) IL2ABL1
SCHEMBL8263038 0.78 IL2 (0.42) IL2ORAI1TRPC3CRACR2A

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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