SCHEMBL5190544

SCHEMBL5190544

COc1ccc(CN2CCNCC2CC(N)=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5190692 0.91 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAMAPK1KMT2A
SCHEMBL5192506 0.89 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMAPK1KDM4E
SCHEMBL5190175 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAKMT2AKDM4E
SCHEMBL5190296 0.86 SIGMAR1 (0.44) ALDH1A1L3MBTL1KDM4ESIGMAR1
SCHEMBL5192022 0.84 KMT2A (0.48) ALDH1A1KMT2AKDM4EPOLB
SCHEMBL5190638 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPK1KMT2A
SCHEMBL5193050 0.82 KMT2A (0.41) ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL9842333 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAMAPK1KMT2A
SCHEMBL5191954 0.79 KMT2A (0.44) ALDH1A1LMNAKMT2APOLB
SCHEMBL22639906 0.75 TDP1 (0.57) ALDH1A1L3MBTL1LMNAMAPK1KMT2A

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 6 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
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