SCHEMBL7807153

SCHEMBL7807153

CC1=C(C#N)C(c2ccc(C(=O)O)cc2)C(C#N)=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HSD17B10 Q99714 4/20 0.48
CASP1 P29466 2/20 0.48
GLA P06280 2/20 0.48
HTT P42858 1/20 0.48
KLK7 P49862 1/20 0.48
CASP7 P55210 1/20 0.48
MET P08581 1/20 0.48
RPS6KA3 P51812 1/20 0.48
KDM4E B2RXH2 10/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 10/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.45
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PIP5K1A Q99755 1/20 0.41

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
SCHEMBL4436094 0.82 SMN1; SMN2 (0.49) MAPTHSD17B10CASP1METRPS6KA3
SCHEMBL7267666 0.82 LMNA (0.49) MAPTHSD17B10CASP1GLAHTT
SCHEMBL7814851 0.80 ALDH1A1 (0.60) MAPTHSD17B10CASP1GLAHTT
SCHEMBL4991019 0.79 KDM4E (0.44) MAPTHSD17B10CASP1GLAHTT
SCHEMBL7817770 0.77 MET (0.53) MAPTHSD17B10CASP1GLAHTT
SCHEMBL7814815 0.74 ALDH1A1 (0.62) MAPTHSD17B10CASP1GLACASP7
SCHEMBL7806871 0.74 ALDH1A1 (0.53) MAPTHSD17B10CASP1GLAMET
SCHEMBL7806963 0.74 SMN1; SMN2 (0.52) MAPTHSD17B10CASP1METRPS6KA3
SCHEMBL7815167 0.74 ALDH1A1 (0.62) MAPTHSD17B10CASP1GLAHTT
SCHEMBL4443241 0.74 SMN1; SMN2 (0.49) MAPTHSD17B10CASP1METRPS6KA3

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-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US claimed
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed