SCHEMBL7814815

SCHEMBL7814815

COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
KDM4E B2RXH2 12/20 0.61
MAPT P10636 6/20 0.61
GAA P10253 6/20 0.61
HPGD P15428 5/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GLA P06280 1/20 0.61
HIF1A Q16665 1/20 0.61
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MET P08581 2/20 0.50
RPS6KA3 P51812 1/20 0.50
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 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 0.88 MET (0.59) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7820657 0.82 KDM4E (0.61) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL3023520 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL3030632 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7817770 0.79 MET (0.53) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7814851 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10667172 0.79 CUL4A (0.57) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7806871 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL15572874 0.77 MEN1 (0.68) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7817100 0.76 GAA (0.65) ALDH1A1KDM4EMAPTGAAHPGD

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