SCHEMBL30557925

SCHEMBL30557925

O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.60
▸ GAA P10253 1/20 0.55
▸ KCNK3 O14649 13/20 0.53
▸ KCNK9 Q9NPC2 13/20 0.53
▸ HDAC1 Q13547 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL30557930 0.92 CYP3A4 (0.60) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557938 0.92 CYP3A4 (0.58) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557931 0.90 CYP3A4 (0.62) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557934 0.89 CYP3A4 (0.55) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557941 0.87 CYP3A4 (0.56) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557928 0.85 CYP3A4 (0.56) CYP3A4GAAKCNK3KCNK9HDAC1
SCHEMBL30557935 0.82 CYP3A4 (0.67) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557943 0.81 CYP3A4 (0.81) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557939 0.78 CYP3A4 (0.67) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557946 0.78 CYP3A4 (0.76) CYP3A4GAAKCNK3KCNK9KDM4E

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
CN-115160313-B 2-phenylimidazole [1,2-a ] pyridine compound, composition containing same and application of 2-phenylimidazole [1,2-a ] pyridine compound and composition 中国药科大学 2023-09-05 — — CN disclosed
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