SCHEMBL20041677

SCHEMBL20041677

Cn1c2ccccc2c2cc(-c3ccc4oc5nc6ccccc6n5c4c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
GPR3 P46089 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
TP53 P04637 3/20 0.36
PKM P14618 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
PTGER4 P35408 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL20041550 0.91 NPC1 (0.48) NPC1RAB9AGPR3KDM4EALDH1A1
SCHEMBL17507388 0.86 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17507240 0.84 NPC1 (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17507365 0.83 ALDH1A1 (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL20041722 0.82 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17507251 0.82 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17507243 0.81 FLT3 (0.38) NPC1RAB9AGPR3KDM4EALDH1A1
SCHEMBL20041423 0.81 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL20041731 0.80 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17507244 0.80 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1HPGD

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