SCHEMBL17028840

SCHEMBL17028840

COC(=O)N1CCN(Cc2c(Cc3ccc(C)cc3)c[nH]c(=O)c2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HTR7 P34969 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 0.91 MEN1 (0.39) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17028837 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17028820 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL17028826 0.86 FAAH (0.46) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17028830 0.85 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17028846 0.85 ALDH1A1 (0.37) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL17028817 0.85 MGLL (0.41) L3MBTL1FAAHALDH1A1KDM4EKMT2A
SCHEMBL17028841 0.84 FAAH (0.42) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17028844 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL17028835 0.82 ALDH1A1 (0.43) FAAHALDH1A1KDM4ELMNAKMT2A

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