SCHEMBL28619420

SCHEMBL28619420

CCN(CC)Cc1c(-c2ccco2)nc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.51
▸ HPGD P15428 8/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ HTT P42858 3/20 0.51
▸ MAPT P10636 7/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL28630911 0.80 NPC1 (0.60) ALDH1A1KDM4EHTTSMN1; SMN2RAB9A
SCHEMBL28630208 0.78 NPC1 (0.61) KDM4EHTTSMN1; SMN2RAB9ANPC1
SCHEMBL28615473 0.77 NPC1 (0.60) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL28616235 0.76 KDM4E (0.58) GAAHPGDALDH1A1KDM4EHTT
SCHEMBL28620514 0.76 NPC1 (0.59) GAAALDH1A1KDM4EHTTMAPT
SCHEMBL28619418 0.75 ALDH1A1 (0.54) GAAHPGDALDH1A1KDM4EHTT
SCHEMBL28627525 0.75 RAB9A (0.54) KDM4EHTTSMN1; SMN2RAB9ANPC1
SCHEMBL28620849 0.74 NPC1 (0.60) GAAHPGDALDH1A1KDM4EHTT
SCHEMBL28369694 0.73 GAA (0.60) GAAHPGDALDH1A1KDM4EHTT
SCHEMBL28369691 0.72 HPGD (0.59) GAAHPGDALDH1A1KDM4EHTT

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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