SCHEMBL7820645

SCHEMBL7820645

CC1=C(C#N)C(c2ccco2)C(C#N)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 10/20 0.50
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CASP1 P29466 3/20 0.50
HPGD P15428 5/20 0.46
ALOX15 P16050 3/20 0.46
CASP7 P55210 2/20 0.46
LMNA P02545 2/20 0.46
HBB P68871 1/20 0.46
GAA P10253 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7275798 0.86 KDM4E (0.58) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL13295969 0.79 ALDH1A1 (0.49) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL6441000 0.75 KMT2A (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3324580 0.74 ALDH1A1 (0.45) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL7817348 0.72 MET (0.59) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL7815153 0.72 KDM4E (0.60) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL7817108 0.70 KDM4E (0.77) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL27372710 0.70 KDM4E (0.77) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL7820657 0.68 KDM4E (0.61) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL13856692 0.67 MAPT (1.00) KDM4ENPSR1ALDH1A1MAPTMEN1

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