SCHEMBL20041550

SCHEMBL20041550

Cn1c2ccccc2c2cc(-c3ccc4nc5oc6ccccc6n5c4c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
GPR3 P46089 1/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PTGER4 P35408 6/20 0.36
NPY5R Q15761 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL20041677 0.91 NPC1 (0.45) NPC1RAB9AGPR3KDM4EL3MBTL1
SCHEMBL17507332 0.86 NPC1 (0.49) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL17507382 0.84 NPC1 (0.51) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL20041552 0.83 NPC1 (0.41) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL17507363 0.82 NPC1 (0.54) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL17507380 0.80 NPC1 (0.38) NPC1RAB9A
SCHEMBL17507331 0.80 NPC1 (0.43) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL20041422 0.80 NPC1 (0.44) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL20041610 0.80 NPC1 (0.51) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL17507341 0.80 NPC1 (0.44) NPC1RAB9AKDM4EL3MBTL1ALDH1A1

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed