SCHEMBL7814922

SCHEMBL7814922

CC1=C(C#N)C(c2ccc(-c3ccc(C)cc3)cc2)C(C#N)=C(C)N1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
ALOX15 P16050 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALOX12 P18054 2/20 0.54
BRCA1 P38398 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
PRNP P04156 1/20 0.54
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MET P08581 1/20 0.41
POLB P06746 1/20 0.40
GRK6 P43250 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7817485 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL13295965 0.81 CUL4A (0.53) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL7820657 0.72 KDM4E (0.61) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL13295967 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL4994801 0.67 MET (0.55) ALDH1A1KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL13295971 0.66 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL7817348 0.65 MET (0.59) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL7807645 0.65 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL11789191 0.63 CUL4A (0.49) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL16178581 0.63 TSHR (0.53) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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