SCHEMBL11377645

SCHEMBL11377645

CSc1nc(CN2CCOCC2)c(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAPK10 P53779 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ CYP2A13 Q16696 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL11386700 0.84 ALOX15 (0.41) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL112781 0.71 PKM (0.52) CXCR4SMN1; SMN2GAAHPGDALDH1A1
SCHEMBL140166 0.71 CXCR4 (0.38) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6584081 0.68 HPGD (0.45) CXCR4RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9377414 0.68 HTT (0.47) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL26032253 0.61 CXCR4 (0.46) CXCR4RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19296064 0.61 CXCR4 (0.42) CXCR4RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL23921890 0.61 CYP2A13 (0.44) CXCR4RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11384756 0.61 L3MBTL1 (0.49) HTTL3MBTL1MAPT
SCHEMBL27348884 0.61 LMNA (0.41) CXCR4SMN1; SMN2LMNAGAAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267337-A Imidazolemethylphosphonium salts SK&F LAB CO. (US) 1981-05-12 — — US disclosed
US-4215217-A Process for preparing 4-substituted imidazole compounds SK&F LAB CO. (US) 1980-07-29 — — US disclosed
US-4119781-A Process for preparing 4-substituted imidazole compounds SK&F LAB CO. (US) 1978-10-10 — — US disclosed
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