SCHEMBL538611

SCHEMBL538611

Cc1ccc(-c2cccc(-c3ccc(N)cc3)c2-c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
DHFR P00374 1/20 0.40
LMNA P02545 2/20 0.39
HTR7 P34969 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MAP3K14 Q99558 1/20 0.38
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL5414116 0.87 ALDH1A1 (0.52) ALDH1A1PTGS2PTGS1DHFRLMNA
Ammonia Solution, Strong SCHEMBL5878673 0.84 MEN1 (0.43) ALDH1A1PTGS2PTGS1LMNAHTR7
SCHEMBL2163513 0.79 CYP3A4 (0.42) ALDH1A1DHFRHTR7MAPTCYP3A4
SCHEMBL2446270 0.78 CYP3A4 (0.50) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL38662435 0.76 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL27908988 0.76 ALDH1A1 (0.64) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL7728892 0.76 ALDH1A1 (0.43) ALDH1A1PTGS2PTGS1DHFRLMNA
SCHEMBL24329895 0.76 CA12 (0.46) ALDH1A1DHFRHTR7MAPTPLA2G7
SCHEMBL9136326 0.75 HSD17B1 (0.50) ALDH1A1CYP3A4TDP1KDRFLT3
SCHEMBL538609 0.75 ALDH1A1 (0.52) ALDH1A1PTGS2PTGS1LMNAHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10212268-A None JP disclosed
JP-10212267-A None JP disclosed
US-8173343-B2 Electrophotographic photoconductor, image forming apparatus using the same, and process cartridge RICOH COMPANY, LTD. (JP) 2012-05-08 US disclosed
EP-2146251-B1 Electrophotographic photoconductor, image forming apparatus using the same, and process cartridge RICOH CO LTD (JP) 2012-02-08 EP disclosed
US-20100015538-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING APPARATUS USING THE SAME, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2010-01-21 US disclosed
EP-2146251-A1 Electrophotographic photoconductor, image forming apparatus using the same, and process cartridge Ricoh Company, Ltd. (JP) 2010-01-20 EP disclosed
US-5902901-A Arylamine processes XEROX CORPORATION (US) 1999-05-11 US disclosed
JP-H10212267-A PROCESS FOR PREPARING ARYLAMINE XEROX CORP 1998-08-11 JP disclosed
JP-H10212268-A PROCESS FOR PREPARING ARYLAMINE XEROX CORP 1998-08-11 JP disclosed
US-5723671-A Arylamine processes XEROX CORPORATION (US) 1998-03-03 US disclosed
US-5723669-A Arylamine processes XEROX CORPORATION (US) 1998-03-03 US disclosed
US-5705697-A ULLMAN CONDENSATION OF IODOXYLENE WITH N-(3,4-DIMETHYLPHENYL)-4-BIPHENYLAMINE CATALYZED BY COPPER/I/ COMPLEXED TO NITROGEN-CONTAINING HETEROARYL LIGAND XEROX CORPORATION (US) 1998-01-06 US disclosed