SCHEMBL8263031

SCHEMBL8263031

C=C/C=C(\SC)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cncc3F)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 9/20 0.55
▸ STIM1 Q13586 3/20 0.44
▸ ORAI1 Q96D31 3/20 0.44
▸ ABL1 P00519 2/20 0.35
▸ KCNQ3 O43525 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31
▸ KCNE1 P15382 1/20 0.31
▸ KCNQ1 P51787 1/20 0.31
▸ KCNQ5 Q9NR82 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ S1PR4 O95977 1/20 0.31

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
SCHEMBL8263040 0.89 IL2 (0.46) IL2STIM1ORAI1ABL1
SCHEMBL8261515 0.86 IL2 (0.55) IL2STIM1ORAI1ABL1KCNQ3
SCHEMBL8264013 0.86 IL2 (0.60) IL2STIM1ORAI1ABL1KCNQ3
SCHEMBL8263029 0.84 IL2 (0.44) IL2ABL1MAPK13MAPK12MAPK11
SCHEMBL8262624 0.82 IL2 (0.55) IL2STIM1ORAI1ABL1KCNQ3
SCHEMBL8262095 0.81 IL2 (0.58) IL2STIM1ORAI1ABL1KCNQ3
SCHEMBL8263038 0.80 IL2 (0.42) IL2ORAI1
SCHEMBL8262619 0.80 IL2 (0.56) IL2STIM1ORAI1ABL1KCNQ3
SCHEMBL8258543 0.79 IL2 (0.50) IL2STIM1ORAI1ABL1
SCHEMBL8263046 0.77 IL2 (0.48) IL2STIM1ORAI1KCNQ3KCNQ2

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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