SCHEMBL5190638

SCHEMBL5190638

COc1ccc(CN2CCNCC2C(N)=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 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
SCHEMBL5190544 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL17144543 0.78 SPHK1 (0.48) MAOBSIGMAR1NPSR1
SCHEMBL5193550 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL15303786 0.76 POLB (0.46) ALDH1A1KDM4EKMT2AMAPK1MEN1
Hydrochloric Acid SCHEMBL9782181 0.76 POLB (0.49) ALDH1A1L3MBTL1KDM4EKMT2AMAPK1
SCHEMBL5190692 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL9842333 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL9782278 0.75 POLB (0.45) ALDH1A1KDM4EKMT2AMAPK1MEN1
SCHEMBL5192506 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ELMNAMAPK1
SCHEMBL9595851 0.74 KDM4E (0.52) ALDH1A1L3MBTL1KDM4ELMNAMAPK1

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