SCHEMBL7702460

SCHEMBL7702460

C=CCc1ccc(C#N)c(C#[N+][O-])c1CC=C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8653737 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL2170315 0.77 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL7702457 0.72 GABRA1 (0.40) MAPT
SCHEMBL2170193 0.69 GABRA1 (0.43) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL29196846 0.68 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL7715190 0.67 GABRA1 (0.38) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL1918099 0.67 GABRA1 (0.43) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL31185609 0.66 GABRA1 (0.43) KDM4EALDH1A1MAPTHPGD
SCHEMBL8655295 0.66 GABRA1 (0.43) KDM4EALDH1A1MAPTHPGD
SCHEMBL11874745 0.66 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHPGDALOX15

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-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed