SCHEMBL7507296

SCHEMBL7507296

Cc1nc(-c2ccccc2)nc(OCC(=O)N2CC(C)CC(C)C2)c1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7496362 0.88 POLB (0.55) LMNAKDM4EL3MBTL1TP53MEN1
SCHEMBL7499083 0.82 KDM4E (0.45) LMNAKDM4EMEN1KMT2A
SCHEMBL7506345 0.78 GAA (0.57) LMNAKDM4EL3MBTL1TP53MEN1
SCHEMBL7504683 0.78 PDE4B (0.49) LMNAKDM4EL3MBTL1KMT2ATSHR
SCHEMBL7502793 0.74 MAPT (0.58) LMNAKDM4EL3MBTL1TP53MEN1
SCHEMBL7501749 0.74 SQOR (0.53) LMNAKDM4EL3MBTL1TP53MAPT
SCHEMBL7502299 0.72 KDM4E (0.62) LMNAKDM4EL3MBTL1TP53MEN1
SCHEMBL7495437 0.71 POLB (0.55) TSHRPOLBCYP2C19
SCHEMBL7497628 0.70 GAA (0.45) LMNAKDM4EL3MBTL1TP53TSHR
SCHEMBL7499764 0.70 GAA (0.41) LMNAKDM4EL3MBTL1TP53MEN1

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