SCHEMBL7820657

SCHEMBL7820657

CC1=C(C#N)C(c2ccc(C)cc2)C(C#N)=C(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.61
▸ ALDH1A1 P00352 9/20 0.61
▸ MAPT P10636 5/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ PRNP P04156 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ BRCA1 P38398 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ MET P08581 5/20 0.55
▸ RPS6KA3 P51812 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HPGD P15428 3/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ GRK6 P43250 1/20 0.43
▸ GLA P06280 1/20 0.43

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 0.94 MET (0.59) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7807645 0.90 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7817770 0.85 MET (0.53) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7814851 0.85 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7815153 0.85 KDM4E (0.60) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7267666 0.84 LMNA (0.49) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7806871 0.82 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7820367 0.82 MET (0.50) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL7814815 0.82 ALDH1A1 (0.62) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL10667172 0.81 CUL4A (0.57) KDM4EALDH1A1MAPTHSD17B10MEN1

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
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