SCHEMBL5194022

SCHEMBL5194022

COCC(=O)N1CCNC(CC(=O)NCCc2ccc(OC)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5192491 0.91 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2
SCHEMBL5194854 0.81 NPC1 (0.44) ALDH1A1POLBHPGD
SCHEMBL5190018 0.79 PKM (0.49) ALDH1A1POLBSMN1; SMN2
SCHEMBL5195352 0.76 ALDH1A1 (0.58) ALDH1A1PTPN1POLBMAPTKDM4E
SCHEMBL5192443 0.76 ALDH1A1 (0.48) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL5193432 0.76 MAPT (0.50) MAPTSMN1; SMN2
SCHEMBL5193308 0.76 POLB (0.47) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL5193468 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL5190765 0.76 CHRM1 (0.47) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL5190775 0.75 MAPT (0.49) ALDH1A1POLBMAPTHPGDMAPK1

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed