SCHEMBL7817100

SCHEMBL7817100

COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.65
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RECQL P46063 1/20 0.51
MET P08581 1/20 0.50
RPS6KA3 P51812 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CA2 P00918 2/20 0.48
NR3C1 P04150 1/20 0.48
ALPG P10696 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL3030632 0.87 ALDH1A1 (0.65) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685522 0.84 ALDH1A1 (0.50) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685529 0.82 KDM4E (0.55) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685417 0.80 KDM4E (0.52) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685506 0.80 KDM4E (0.52) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685542 0.80 KDM4E (0.52) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685546 0.80 KDM4E (0.52) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13236491 0.80 ALDH1A1 (0.59) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13685590 0.77 KDM4E (0.50) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7817348 0.77 MET (0.59) GAAALDH1A1KDM4EMAPTSMN1; SMN2

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