SCHEMBL7815153

SCHEMBL7815153

CC1=C(C#N)C(c2ccccc2)C(C#N)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
MAPT P10636 9/20 0.60
ALDH1A1 P00352 9/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 3/20 0.60
CUL4A Q13619 1/20 0.55
POLB P06746 3/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 3/20 0.51
MET P08581 2/20 0.51
GAA P10253 2/20 0.51
RPS6KA3 P51812 1/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP1 P29466 1/20 0.51
IDO1 P14902 1/20 0.47
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45

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 0.90 MET (0.59) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7806963 0.85 SMN1; SMN2 (0.52) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7820657 0.85 KDM4E (0.61) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL9906888 0.84 ALDH1A1 (0.50) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7817770 0.81 MET (0.53) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL10667172 0.81 CUL4A (0.57) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7814851 0.81 ALDH1A1 (0.60) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL10891614 0.81 ADORA3 (0.64) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL13685526 0.80 SMN1; SMN2 (0.53) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL13685440 0.80 SMN1; SMN2 (0.53) KDM4EMAPTALDH1A1SMN1; SMN2HPGD

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 disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed
US-3969359-A Method of preparing N-substituted 3,5-dicyan-1,4-dihydropyridines VYSOKA SKOLA CHEMICKO-TECHNOLOGICKA (CS) 1976-07-13 US disclosed