SCHEMBL19852644

SCHEMBL19852644

N#Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR2C P28335 3/20 0.37
KDM4E B2RXH2 2/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 3/20 0.33

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
SCHEMBL19850917 0.78 HSPA1A (0.45) KDM4EPOLBRECQLTDP1CA1
SCHEMBL19843576 0.77 PDE6D (0.34) NPC1RAB9AKDM4EESR1POLB
SCHEMBL19850922 0.76 NPC1 (0.50) NPC1RAB9AKDM4EESR1POLB
SCHEMBL23476463 0.74 KDM4E (0.37) NPC1RAB9AKDM4EESR1POLB
SCHEMBL19842574 0.73 ALDH1A1 (0.39) KDM4EPOLBRECQLTDP1ATM
SCHEMBL19843085 0.73 PRKDC (0.35) ATM
SCHEMBL19848955 0.73 CA1 (0.38) KDM4EPOLBCA1CA2ATM
SCHEMBL19842386 0.72 PDE6D (0.46) KDM4EPOLBAPEX1RECQLTDP1
SCHEMBL19842498 0.72 NR1H2 (0.44) KDM4EPOLBHSD17B10CA1CA2
SCHEMBL19850918 0.72 HSPA1A (0.43) KDM4EPOLBRECQLTDP1CA1

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-2018024723-A1 PHTHALIMIDE AND CARBAZOLE OR ANALOGS THEREOF CONTAINING COMPOUNDS FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 WO disclosed