SCHEMBL7533926

SCHEMBL7533926

COc1ccc(CNN=C(C)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
KDM4E B2RXH2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GAA P10253 3/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
HIF1A Q16665 1/20 0.48
PKM P14618 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
MEN1 O00255 2/20 0.47
LTA4H P09960 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7530445 0.94 NPC1 (0.60) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL12711610 0.85 LMNA (0.61) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL7536709 0.85 LMNA (0.61) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL17913066 0.80 LIMK2 (0.60) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL7531135 0.79 MEN1 (0.64) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL7536739 0.79 RAB9A (0.48) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL23392559 0.76 LMNA (0.55) TDP1NPC1RAB9AL3MBTL1MAPT
SCHEMBL23392557 0.76 LMNA (0.55) TDP1NPC1RAB9AL3MBTL1MAPT
SCHEMBL7536762 0.75 KMT2A (0.66) TDP1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL7191924 0.74 ALDH1A1 (0.52) TDP1NPC1RAB9AKDM4EL3MBTL1

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-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed