SCHEMBL15435609

SCHEMBL15435609

CNc1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FTO Q9C0B1 10/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMAD3 P84022 1/20 0.42
PRMT1 Q99873 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
GSTP1 P09211 1/20 0.38

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
SCHEMBL15435547 0.91 HPGD (0.60) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL13313086 0.89 FTO (0.55) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL14189992 0.84 FTO (0.57) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL8024125 0.83 ALDH1A1 (0.64) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL16977912 0.83 FTO (0.47) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL26472361 0.82 MAPT (0.59) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL20353110 0.82 ALDH1A1 (0.52) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL13295372 0.80 FTO (0.64) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL31580046 0.78 FTO (0.66) HPGDTDP1CYP3A4ALDH1A1HIF1A
SCHEMBL9610878 0.78 FTO (0.66) HPGDTDP1CYP3A4ALDH1A1HIF1A

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-2797892-B1 PYRIDINONE DERIVATIVES AS TISSUE TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2015-05-27 EP disclosed
EP-2687511-A1 Pyridinone derivatives as tissue transglutaminase inhibitors Zedira GmbH (DE) 2014-01-22 EP disclosed