SCHEMBL20041422

SCHEMBL20041422

Cc1ccc2oc3ccc(-c4ccc5nc6oc7ccccc7n6c5c4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 9/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 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
SCHEMBL20041423 0.92 NPC1 (0.42) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507382 0.90 NPC1 (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL20041625 0.86 NPC1 (0.41) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507331 0.86 NPC1 (0.43) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL20041609 0.85 NPC1 (0.45) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507245 0.85 NPC1 (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507364 0.84 NPC1 (0.44) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507341 0.83 NPC1 (0.44) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507240 0.83 NPC1 (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17507363 0.81 NPC1 (0.54) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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