SCHEMBL7817348

SCHEMBL7817348

CC1=C(C#N)C(c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc2)C(C#N)=C(C)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.59
RPS6KA3 P51812 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 11/20 0.53
MAPT P10636 7/20 0.53
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
BRCA1 P38398 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
PRNP P04156 1/20 0.52
HPGD P15428 4/20 0.51
CASP1 P29466 1/20 0.51
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL7820657 0.94 KDM4E (0.61) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7814851 0.91 ALDH1A1 (0.60) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7806871 0.88 ALDH1A1 (0.53) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7807153 0.85 MAPT (0.48) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7807645 0.85 ALDH1A1 (0.51) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7815167 0.83 ALDH1A1 (0.62) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7806963 0.83 SMN1; SMN2 (0.52) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL13685529 0.81 KDM4E (0.55) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL3030632 0.80 ALDH1A1 (0.65) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL4996885 0.79 MET (0.49) METRPS6KA3SMN1; SMN2POLBMAPK1

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 2 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 disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed