SCHEMBL28395491

SCHEMBL28395491

c1ccc2nc(-c3nc(-c4cnc5ccccc5n4)c(-c4cnc5ccccc5n4)nc3-c3cnc4ccccc4n3)cnc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
BCHE P06276 1/20 0.57
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK10 P53779 2/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADORA3 P0DMS8 3/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
PDE10A Q9Y233 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL29966674 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29942654 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL3076524 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29614829 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL18806858 0.84 NPC1 (0.66) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL4512439 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL9377289 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL31061155 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL4954320 0.81 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29371290 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEKDM4E

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-107207872-B Phthalocyanine pigment composition, coloring composition and color filter 东洋油墨SC控股株式会社 2020-05-19 CN disclosed