SCHEMBL132885

SCHEMBL132885

N#CC(C#N)C1C(c2ccccc2)=C(c2ccccc2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
P2RX7 Q99572 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL6629142 0.78 CDC25A (0.39) CYP1A2TSHRP2RX7FGFR1FGFR2
SCHEMBL3425358 0.77 GPR3 (0.41) CYP1A2TSHR
SCHEMBL27363609 0.68 ALDH1A1 (0.39) P2RX7FGFR1FGFR2FGFR4FGFR3
SCHEMBL27916062 0.68 ALDH1A1 (0.35) P2RX7FGFR1FGFR2FGFR4FGFR3
SCHEMBL232990 0.67 LMNA (0.41) CYP1A2FGFR1FGFR2FGFR4FGFR3
SCHEMBL13951178 0.66 MEN1 (0.35) CYP1A2TSHRMAPTHTTNPSR1
SCHEMBL6949569 0.66 CUL4A (0.45) CYP1A2TSHRALDH1A1MAPTHTT
SCHEMBL6626602 0.65 HSP90AA1 (0.35) P2RX7MITFALDH1A1MAPTHTT
SCHEMBL23968948 0.64 ALDH1A1 (0.37) CYP1A2ALDH1A1NPSR1
SCHEMBL5998334 0.63 CHRNB4 (0.41) CYP1A2TSHRALDH1A1MAPT

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
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed
US-7309552-B2 Containing the reaction product of a dibenzo [a,c]phenadine-2,7-bisdiazonium salt and a coupler such as N-benzyl-2-hydroxy-7,8-naphthalic acid imide; stilbene charge transport material; 1alkylidene-2,3-diphenylindene acceptor; biphenol; copolycarbonate containing arylamine groups; highly durable RICOH COMPANY, LTD. (JP) 2007-12-18 US disclosed
US-20050266331-A1 Electrophotographic photoconductor, electrophotography, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH COMPANY, LTD. (JP) 2005-12-01 US disclosed
EP-1521125-A1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound Ricoh Company (JP) 2005-04-06 EP disclosed