SCHEMBL7806871

SCHEMBL7806871

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
MAPT P10636 6/20 0.53
HPGD P15428 4/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
MET P08581 3/20 0.50
TSHR P16473 1/20 0.50
RPS6KA3 P51812 1/20 0.50
KDM4E B2RXH2 8/20 0.46
ABCB1 P08183 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
USP2 O75604 1/20 0.42
PRNP P04156 1/20 0.42

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
SCHEMBL7817348 0.88 MET (0.59) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7807645 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7806963 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7820657 0.82 KDM4E (0.61) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7814851 0.79 ALDH1A1 (0.60) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7817770 0.79 MET (0.53) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7815153 0.79 KDM4E (0.60) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7814815 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7820367 0.77 MET (0.50) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL10667172 0.76 CUL4A (0.57) ALDH1A1MAPTHPGDMAPK1MEN1

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