SCHEMBL4723570

SCHEMBL4723570

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCOCC4=O)ccc3S(C)(=O)=O)c(=O)c3c2CCCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4720197 0.86
SCHEMBL4719487 0.84
SCHEMBL4719183 0.84
SCHEMBL4719178 0.84
SCHEMBL4719881 0.82 F10 (0.38) F10
SCHEMBL4721053 0.82
SCHEMBL4722116 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4719078 0.80 PARP1 (0.30) KMT2A
SCHEMBL4721435 0.78
SCHEMBL4721433 0.78

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed