SCHEMBL7501517

SCHEMBL7501517

O=C(O)COc1nc(-c2ccc(Cl)cc2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KMT2A Q03164 1/20 0.45
PDE4B Q07343 2/20 0.44
PDE4D Q08499 1/20 0.44
POLB P06746 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
SCHEMBL7495188 0.88 POLB (0.54) PDE4BPOLB
SCHEMBL7501896 0.79 L3MBTL1 (0.51) TP53KMT2APOLB
SCHEMBL4807895 0.76 GABRA1 (0.54)
SCHEMBL6075338 0.74 TP53 (0.49) TP53KMT2A
SCHEMBL6075340 0.73 TP53 (0.48) TP53KMT2APOLB
SCHEMBL17313512 0.71 PDE4B (0.82) PDE4BPDE4D
SCHEMBL14529283 0.71 BCHE (0.50) TP53
SCHEMBL4809314 0.71 TP53 (0.46) TP53KMT2APOLB
SCHEMBL7500916 0.71 POLB (0.43) TP53PDE4BPDE4DPOLB
SCHEMBL5734234 0.70 TP53 (0.45) TP53KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed