SCHEMBL7500723

SCHEMBL7500723

CCN(C(=O)COc1nc(-c2ccc(N)cc2)nc(C)c1C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLQ O75417 5/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7498235 0.86 ALDH1A1 (0.48) MEN1KMT2APOLQALDH1A1TP53
SCHEMBL7496409 0.84 KDM4E (0.44) MEN1KMT2APOLQALDH1A1KDM4E
SCHEMBL7508554 0.80 GAA (0.41) MEN1KMT2APOLQALDH1A1KDM4E
SCHEMBL7499764 0.79 GAA (0.41) MEN1KMT2APOLQALDH1A1KDM4E
SCHEMBL7498438 0.77 MEN1 (0.47) MEN1KMT2APOLQALDH1A1HSD17B10
SCHEMBL7497628 0.76 GAA (0.45) ALDH1A1KDM4ETP53RAB9AHSD17B10
SCHEMBL7501749 0.75 SQOR (0.53) ALDH1A1KDM4ETP53RAB9AHSD17B10
SCHEMBL7506345 0.74 GAA (0.57) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL7497826 0.72 CYP1A2 (0.44) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL7502363 0.69 PDE10A (0.47) MEN1KMT2APOLQALDH1A1KDM4E

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 6 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 claimed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US claimed
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 claimed
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