SCHEMBL20041622

SCHEMBL20041622

Cc1cccc2c1oc1c(-c3ccc4oc5nc6ccccc6n5c4c3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
FLT3 P36888 3/20 0.39
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BMX P51813 2/20 0.34
POLB P06746 4/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
FAAH O00519 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20041474 0.92 NPC1 (0.44) NPC1RAB9AFLT3ALOX5KDM4E
SCHEMBL17507387 0.88 ALOX5 (0.49) NPC1RAB9AFLT3ALOX5KDM4E
SCHEMBL20041416 0.88 FLT3 (0.41) NPC1RAB9AFLT3ALOX5KDM4E
SCHEMBL20041625 0.81 NPC1 (0.41) NPC1RAB9AFLT3ALOX5KDM4E
SCHEMBL17507362 0.80 ALOX5 (0.50) NPC1RAB9AFLT3ALOX5KDM4E
SCHEMBL20041722 0.78 NPC1 (0.47) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL20041655 0.77 TP53 (0.45) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL17507250 0.76 TP53 (0.44) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL17507244 0.76 NPC1 (0.43) NPC1RAB9AFLT3KDM4EHPGD
SCHEMBL17507386 0.76 NPC1 (0.41) NPC1RAB9AFLT3ALOX5KDM4E

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