SCHEMBL28622641

SCHEMBL28622641

CCN(CC)Cc1c(-c2ccc(C#N)cc2)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KCNK3 O14649 6/20 0.49
▸ KCNK9 Q9NPC2 6/20 0.49
▸ GABRA1 P14867 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ NR1I3 Q14994 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ TRIM33 Q9UPN9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL28630208 0.86 NPC1 (0.61) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28630911 0.86 NPC1 (0.60) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28615473 0.85 NPC1 (0.60) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28620514 0.84 NPC1 (0.59) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28616235 0.84 KDM4E (0.58) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28620849 0.82 NPC1 (0.60) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28627525 0.81 RAB9A (0.54) KDM4ENPC1POLBHTTRAB9A
SCHEMBL28622693 0.79 NPC1 (0.57) KDM4ENPC1POLBHTTRAB9A
SCHEMBL22627434 0.77 RAB9A (0.67) KDM4ENPC1RAB9AKCNK3KCNK9
SCHEMBL19807761 0.76 KDM4E (0.67) KDM4ENPC1POLBHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372346-B Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound 南华大学 2022-08-19 — — CN disclosed
CN-113372346-A Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound 南华大学 2021-09-10 — — CN disclosed
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