SCHEMBL13050004

SCHEMBL13050004

Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
ESR1 P03372 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL12533941 1.00 PTGS2 (0.45) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL10092965 0.96 PTGS2 (0.50) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL13050003 0.96 PTGS2 (0.44) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL14003819 0.96 PTGS2 (0.42) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL14491187 0.96 PTGS2 (0.42) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL13050001 0.94 PTGS2 (0.52) PTGS2CYP19A1CYP11B2ESR1MAPT
SCHEMBL13030248 0.91 PTGS2 (0.45) PTGS2CYP19A1CYP11B2ESR1ALDH1A1
SCHEMBL14003790 0.91 PTGS2 (0.39) PTGS2CYP19A1CYP11B2ESR1CYP2D6
SCHEMBL12189993 0.89 PTGS2 (0.52) PTGS2CYP19A1CYP11B2ESR1MAPT
SCHEMBL19911156 0.89 PTGS2 (0.52) PTGS2CYP19A1CYP11B2ESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349529-B2 Electrophotographic photoconductor, and electrophotographic method, electrophotographic apparatus and process cartridge containing the electrophotographic photoconductor RICOH COMPANY, LTD. (JP) 2013-01-08 US disclosed
US-8349529-B2 Electrophotographic photoconductor, and electrophotographic method, electrophotographic apparatus and process cartridge containing the electrophotographic photoconductor RICOH COMPANY, LTD. (JP) 2013-01-08 US disclosed
US-20100290807-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, AND ELECTROPHOTOGRAPHIC METHOD, ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE CONTAINING THE ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 2010-11-18 US disclosed
US-20100290807-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, AND ELECTROPHOTOGRAPHIC METHOD, ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE CONTAINING THE ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 2010-11-18 US disclosed