SCHEMBL30557946

SCHEMBL30557946

O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.76
▸ GAA P10253 3/20 0.59
▸ SLC2A1 P11166 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CSNK1D P48730 1/20 0.51
▸ CSNK1E P49674 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 1/20 0.49
▸ REV1 Q9UBZ9 1/20 0.49
▸ KCNK3 O14649 1/20 0.49
▸ KCNK9 Q9NPC2 1/20 0.49
▸ GLA P06280 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
SCHEMBL30557943 0.96 CYP3A4 (0.81) CYP3A4GAASLC2A1KDM4ELMNA
SCHEMBL30557940 0.91 CYP3A4 (0.76) CYP3A4GAALMNAMAPTALDH1A1
SCHEMBL30557923 0.90 CYP3A4 (0.71) CYP3A4GAASLC2A1KDM4EKCNK3
SCHEMBL30557935 0.86 CYP3A4 (0.67) CYP3A4GAASLC2A1KDM4ELMNA
SCHEMBL30557939 0.85 CYP3A4 (0.67) CYP3A4GAASLC2A1KDM4ELMNA
SCHEMBL30557924 0.84 CYP3A4 (0.66) CYP3A4GAASLC2A1KDM4EKCNK3
SCHEMBL30557932 0.84 CYP3A4 (0.65) CYP3A4GAASLC2A1KDM4ELMNA
SCHEMBL30557927 0.84 SLC2A1 (0.67) CYP3A4GAASLC2A1KDM4ESMN1; SMN2
SCHEMBL30557930 0.79 CYP3A4 (0.60) CYP3A4GAAKDM4ELMNAMAPT
SCHEMBL28620843 0.79 SLC2A1 (0.82) GAASLC2A1KDM4ESMN1; SMN2ALDH1A1

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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