SCHEMBL13242003

SCHEMBL13242003

Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
FKBP5 Q13451 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL13242004 0.84 CES2 (0.40) CES2CES1NPC1RAB9AMAPT
SCHEMBL17735845 0.84 CES2 (0.40) CES2CES1NPC1RAB9AMAPT
SCHEMBL13242019 0.84 CES2 (0.40) CES2CES1NPC1RAB9AMAPT
SCHEMBL13242005 0.84 HSD17B1 (0.43) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL12376989 0.84 MEN1 (0.36) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL5036464 0.84 MEN1 (0.36) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL17735830 0.83 CES2 (0.39) CES2CES1NPC1RAB9AMAPT
SCHEMBL16938084 0.83 CES2 (0.43) CES2CES1NPC1RAB9AMAPT
SCHEMBL17735838 0.83 CES2 (0.43) CES2CES1NPC1RAB9AMAPT
SCHEMBL13242011 0.81 MAPT (0.34) CES2CES1MAPTSMN1; SMN2HSD17B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481238-B2 Electrophotographic photoreceptors, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-07-09 US disclosed
US-20100183332-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTORS, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-07-22 US disclosed
US-20100183332-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTORS, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-07-22 US disclosed