SCHEMBL9976456

SCHEMBL9976456

Cc1ccc(NC(=O)c2cc(O)ccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.72
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
MCL1 Q07820 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL9976457 0.93 F10 (0.70) F10NPC1RAB9AKDM4EMEN1
SCHEMBL5401508 0.90 F10 (0.81) F10NPC1RAB9AMAPTKMT2A
SCHEMBL9976455 0.83 F10 (1.00) F10NPC1RAB9A
SCHEMBL5409547 0.83 F10 (0.81) F10NPC1RAB9AMAPTKMT2A
SCHEMBL12082773 0.83 RAB9A (1.00) F10NPC1RAB9AKDM4EMEN1
SCHEMBL12333906 0.81 NPC1 (0.80) F10NPC1RAB9AKDM4EMEN1
SCHEMBL14593815 0.80 F10 (0.76) F10
SCHEMBL5387675 0.77 F10 (0.88) F10
SCHEMBL5406397 0.76 F10 (0.83) F10
SCHEMBL9928647 0.75 F10 (0.84) 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