SCHEMBL8256962

SCHEMBL8256962

C=C/C=C(\OC)c1ccc(Cl)c(-c2cnc(NC(=O)c3snnc3C)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 4/20 0.37
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL8252236 0.91 ALDH1A1 (0.39) POLBUSP2HTTALDH1A1MAOA
SCHEMBL8259763 0.88 POLB (0.41) POLBUSP2HTTALDH1A1MAOA
SCHEMBL8257487 0.83 POLB (0.40) POLBUSP2HTTALDH1A1MAOA
SCHEMBL8263036 0.83 POLB (0.42) POLBUSP2HTTALDH1A1MAOA
SCHEMBL15395955 0.82 POLB (0.50) POLBUSP2HTTALDH1A1MAOA
SCHEMBL8260146 0.80 IL2 (0.39) HTTSTIM1ORAI1ORAI2MAPT
SCHEMBL8256955 0.80 IL2 (0.44) POLBMAOBSTIM1ORAI1ORAI2
SCHEMBL8260160 0.79 LMNA (0.38) POLBUSP2HTTALDH1A1LMNA
SCHEMBL8260246 0.79 LMNA (0.39) POLBUSP2HTTALDH1A1LMNA
SCHEMBL8258264 0.78 IL2 (0.46) STIM1ORAI1ORAI2

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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