SCHEMBL7821060

SCHEMBL7821060

CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TSHR P16473 2/20 0.48
GSK3B P49841 6/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
ABCC4 O15439 1/20 0.46
PLIN1 O60240 1/20 0.46
CACNA1F O60840 1/20 0.46
GMNN O75496 1/20 0.46
KCNK2 O95069 1/20 0.46

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
SCHEMBL7188663 0.91 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL5176427 0.84 TDP1 (0.67) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL3325353 0.80 KDM4E (0.58) ALDH1A1KMT2AKDM4ETDP1MAPT
SCHEMBL7817103 0.79 TDP1 (0.71) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8177268 0.79 GSK3B (0.67) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8186251 0.77 CCNA2 (0.61) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL5810483 0.77 NPSR1 (0.47) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8187871 0.77 ABCC9 (0.55) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL7817217 0.76 CA1 (0.60) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL7817504 0.76 MAPT (0.47) ALDH1A1KMT2AKDM4EMEN1TDP1

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 5 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
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 US disclosed