SCHEMBL8261516

SCHEMBL8261516

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.46
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44
▸ CNR1 P21554 2/20 0.35
▸ RORC P51449 1/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ KCNE1 P15382 1/20 0.32
▸ KCNQ1 P51787 1/20 0.32
▸ KCNQ5 Q9NR82 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ F10 P00742 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
SCHEMBL8262095 0.90 IL2 (0.58) IL2STIM1ORAI1KCNQ3KCNQ2
SCHEMBL8261520 0.89 IL2 (0.38) IL2STIM1ORAI1CNR1RORC
SCHEMBL8263046 0.88 IL2 (0.48) IL2STIM1ORAI1CNR1RORC
SCHEMBL8261524 0.82 IL2 (0.42) IL2RORCCSF1RF10
SCHEMBL8256457 0.82 IL2 (0.44) IL2STIM1ORAI1KCNQ3KCNQ2
SCHEMBL8263057 0.80 POLB (0.42) IL2RORC
SCHEMBL8263043 0.79 IL2 (0.49) IL2STIM1ORAI1
SCHEMBL8262619 0.78 IL2 (0.56) IL2STIM1ORAI1KCNQ3KCNQ2
SCHEMBL8264013 0.78 IL2 (0.60) IL2STIM1ORAI1KCNQ3KCNQ2
SCHEMBL8261522 0.77 IL2 (0.37) IL2STIM1ORAI1CNR1RORC

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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