SCHEMBL9976457

SCHEMBL9976457

Cc1ccc(NC(=O)c2ccc(O)cc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.70
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
MCL1 Q07820 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL9976456 0.93 F10 (0.72) F10NPC1RAB9AKDM4EMAPT
SCHEMBL5409547 0.90 F10 (0.81) F10NPC1RAB9AMAPTKMT2A
SCHEMBL5401508 0.83 F10 (0.81) F10NPC1RAB9AMAPTKMT2A
SCHEMBL9976455 0.83 F10 (1.00) F10NPC1RAB9A
SCHEMBL12082773 0.82 RAB9A (1.00) F10NPC1RAB9AKDM4EMAPT
SCHEMBL12333906 0.80 NPC1 (0.80) F10NPC1RAB9AKDM4EMAPT
SCHEMBL5406397 0.76 F10 (0.83) F10
SCHEMBL14593815 0.76 F10 (0.76) F10
SCHEMBL5409814 0.74 F10 (0.84) F10
SCHEMBL5399426 0.74 F10 (1.00) F10

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
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed