SCHEMBL31473741

SCHEMBL31473741

Brc1ccc(COc2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAOB P27338 3/20 0.47
APP P05067 1/20 0.44
IDO1 P14902 2/20 0.44
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CCR5 P51681 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL510400 1.00 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL10055039 0.90 NPC1 (0.68) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL21054861 0.85 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL30518370 0.85 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL29816629 0.84 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL223680 0.84 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL14967225 0.82 NPC1 (0.44) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL510167 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL18429765 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19APP
SCHEMBL510090 0.81 NPC1 (0.63) NPC1ALDH1A1CYP2D6CYP2C19RAB9A

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-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed