SCHEMBL5823988

SCHEMBL5823988

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cc[c]cc4)cc3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 2/20 0.60
S1PR1 P21453 2/20 0.55
NR1H4 Q96RI1 1/20 0.48
EGFR P00533 1/20 0.47
KIF11 P52732 2/20 0.46
IKBKB O14920 2/20 0.45
NOTUM Q6P988 1/20 0.45
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL713986 0.98 NPC1 (0.62) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL3668075 0.89 NPC1 (0.53) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL1104799 0.89 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL6296907 0.89 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL3293191 0.87 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL2623780 0.87 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL445400 0.83 KIF11 (0.56) NPC1RAB9AKDM4EKIF11IKBKB
SCHEMBL67105 0.83 KIF11 (0.56) NPC1RAB9AKDM4EKIF11IKBKB
SCHEMBL74782 0.82 S1PR1 (0.67) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL10330362 0.82 NPC1 (0.64) NPC1RAB9AKDM4ES1PR1NR1H4

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
WO-2006094101-A1 MULTILAYER POLYMER LIGHT-EMITTING DIODES FOR SOLID STATE LIGHTING APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-08 WO disclosed