SCHEMBL8261514

SCHEMBL8261514

C=CS/C(=N\C)c1ccc(C)c(-c2ccc(NC(=O)c3snnc3C)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 3/20 0.42
▸ LMNA P02545 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL8261523 0.88 IL2 (0.42) IL2LMNAADORA2AADORA1POLB
SCHEMBL8262622 0.85 IL2 (0.43) IL2LMNAADORA2AADORA1POLB
SCHEMBL8259732 0.82 LMNA (0.37) IL2LMNAADORA2AADORA1POLB
SCHEMBL8263038 0.82 IL2 (0.42) IL2LMNAADORA2AADORA1POLB
SCHEMBL8262097 0.81 IL2 (0.44) IL2LMNAADORA2AADORA1POLB
SCHEMBL8263037 0.81 IL2 (0.46) IL2LMNAADORA2AADORA1POLB
SCHEMBL8262625 0.80 IL2 (0.44) IL2
SCHEMBL8262624 0.80 IL2 (0.55) IL2
SCHEMBL8262623 0.78 IL2 (0.46) IL2
SCHEMBL8264007 0.77 POLB (0.41) IL2LMNAADORA2AADORA1POLB

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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