SCHEMBL7497748

SCHEMBL7497748

Cc1nc(-c2ccccc2)nc(NCC(=O)N2CC(C)OC(C)C2)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
FKBP1A P62942 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL7497746 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TSHRPDE4BPDE4DFKBP1A
SCHEMBL7497742 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TSHRPDE4BPDE4DFKBP1A
SCHEMBL7505856 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TSHRPDE4BPDE4DFKBP1A
SCHEMBL7502547 0.90 GLA (0.48) SMN1; SMN2TSHRLMNAALDH1A1KMT2A
SCHEMBL7504683 0.88 PDE4B (0.49) TSHRPDE4BPDE4DLMNAALDH1A1
SCHEMBL7495012 0.87 PDE4B (0.46) SMN1; SMN2TSHRPDE4BPDE4DLMNA
SCHEMBL7496362 0.79 POLB (0.55) SMN1; SMN2TSHRFKBP1ALMNAALDH1A1
SCHEMBL7499394 0.72 PDE4B (0.50) SMN1; SMN2TSHRPDE4BPDE4DLMNA
SCHEMBL7507216 0.70 PDE4B (0.46) SMN1; SMN2TSHRPDE4BPDE4DLMNA
SCHEMBL7500578 0.67 KMT2A (0.51) KMT2A

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