SCHEMBL7508554

SCHEMBL7508554

C=CCN(C(=O)COc1nc(-c2ccccc2)nc(C)c1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
IDE P14735 1/20 0.39
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
RXRA P19793 2/20 0.38
NR4A2 P43354 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
POLQ O75417 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7496409 0.85 KDM4E (0.44) GAAKDM4ETSHRALDH1A1MEN1
SCHEMBL7499764 0.82 GAA (0.41) GAAKDM4ETSHRALDH1A1MEN1
SCHEMBL7500723 0.80 MEN1 (0.47) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL7506345 0.78 GAA (0.57) GAAKDM4ETSHRALDH1A1MEN1
SCHEMBL7498235 0.77 ALDH1A1 (0.48) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL7497628 0.77 GAA (0.45) GAAKDM4ETSHRALDH1A1RAB9A
SCHEMBL7501749 0.76 SQOR (0.53) GAAKDM4ETSHRALDH1A1RAB9A
SCHEMBL7497826 0.75 CYP1A2 (0.44) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL7498438 0.75 MEN1 (0.47) ALDH1A1MEN1KMT2AHSD17B10RXRA
SCHEMBL7502299 0.71 KDM4E (0.62) GAAKDM4ETSHRALDH1A1MEN1

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