SCHEMBL30557929

SCHEMBL30557929

COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(NC(=O)C(C)N(C)C)cc3)nc3ccccn13)CC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.51
▸ KCNK3 O14649 14/20 0.48
▸ KCNK9 Q9NPC2 14/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL30557936 0.85 ABCB1 (0.54) ABCB1KCNK3KCNK9ABCG2
SCHEMBL30557947 0.84 ALDH1A1 (0.54) ABCB1KCNK3KCNK9
SCHEMBL28885757 0.84 ABCB1 (0.61) ABCB1KCNK3KCNK9ABCG2
SCHEMBL30022715 0.83 ALDH1A1 (0.56) ABCB1KCNK3KCNK9
SCHEMBL30557945 0.82 ABCB1 (0.52) ABCB1KCNK3KCNK9
SCHEMBL30023178 0.82 ALDH1A1 (0.60) ABCB1KCNK3KCNK9
SCHEMBL30557937 0.82 ABCB1 (0.55) ABCB1KCNK3KCNK9
SCHEMBL30557942 0.82 ABCB1 (0.55) ABCB1KCNK3KCNK9
SCHEMBL30557926 0.81 ABCB1 (0.54) ABCB1KCNK3KCNK9
SCHEMBL30023054 0.81 ALDH1A1 (0.56) ABCB1

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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