SCHEMBL17028841

SCHEMBL17028841

COC(=O)N1CCN(Cc2c(Cc3cccc(Br)c3)c[nH]c(=O)c2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PHGDH O43175 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL17028827 0.89 MEN1 (0.39) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL17028820 0.84 ALDH1A1 (0.40) KDM4EALDH1A1POLB
SCHEMBL17028826 0.84 FAAH (0.46) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL17028835 0.84 ALDH1A1 (0.43) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL17028840 0.84 L3MBTL1 (0.40) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL17028837 0.83 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL17028844 0.83 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL17028846 0.83 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL17028817 0.83 MGLL (0.41) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL17028815 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP disclosed
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 WO disclosed