SCHEMBL13701358

SCHEMBL13701358

CCCOc1cc(C)cc(C)c1[N+]#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
CSNK2A1 P68400 2/20 0.35
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 4/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL13890811 0.86 RXFP1 (0.36) L3MBTL1CRHR1ALDH1A1KDM4EMAPT
SCHEMBL12083482 0.82 CYP1A2 (0.38) L3MBTL1ALDH1A1KDM4EMAPTGAA
SCHEMBL12083487 0.79 PLA2G2A (0.39) L3MBTL1ALDH1A1MAPTMEN1GAA
SCHEMBL12863738 0.77 KMT2A (0.38) CSNK2A1ALDH1A1KDM4EMAPTHTT
SCHEMBL10749843 0.76 ALDH1A1 (0.53) L3MBTL1CRHR1ALDH1A1KDM4EMAPT
SCHEMBL10205586 0.76 ACHE (0.46) L3MBTL1ALDH1A1KDM4EMAPTGAA
SCHEMBL4074936 0.76 MAPT (0.37) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL12535684 0.74 PLA2G2A (0.45) TP53TSHR
SCHEMBL2706086 0.72 RAPGEF4 (0.39) ALDH1A1KDM4EMAPTTP53GAA
SCHEMBL14017354 0.71 MEN1 (0.35) ALDH1A1KDM4EMAPTHTTPOLB

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
EP-2100731-A2 Lithographic printing plate precursor and method of lithographic printing Fujifilm Corporation (JP) 2009-09-16 EP disclosed