SCHEMBL7821234

SCHEMBL7821234

CC1=C(C#N)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C#N)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MET P08581 3/20 0.44
RPS6KA3 P51812 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 8/20 0.42
CA2 P00918 2/20 0.42
TYR P14679 1/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
RGS12 O14924 2/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL9685002 0.74 GLRA3 (0.46) KDM4ESMN1; SMN2POLBALDH1A1CA2
SCHEMBL3578249 0.67 CA2 (0.56) KDM4ESMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL7817100 0.67 GAA (0.65) KDM4EMETRPS6KA3SMN1; SMN2POLB
SCHEMBL10667172 0.66 CUL4A (0.57) KDM4EMETRPS6KA3SMN1; SMN2POLB
SCHEMBL9580241 0.66 CA2 (0.48) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL7817770 0.66 MET (0.53) KDM4EMETRPS6KA3SMN1; SMN2POLB
SCHEMBL4988172 0.65 SMN1; SMN2 (0.50) KDM4EMETRPS6KA3SMN1; SMN2POLB
SCHEMBL7807153 0.65 MAPT (0.48) KDM4EMETRPS6KA3SMN1; SMN2POLB
SCHEMBL13685526 0.65 SMN1; SMN2 (0.53) KDM4EMETRPS6KA3SMN1; SMN2POLB
Butylated Hydroxytoluene SCHEMBL27800580 0.64 SMN1; SMN2 (0.95) KDM4ESMN1; SMN2POLBMAPK1ALDH1A1

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