SCHEMBL5597741

SCHEMBL5597741

NC(=O)C(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.46
ESR2 Q92731 8/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
CA2 P00918 2/20 0.44
NFKB1 P19838 2/20 0.44
HIF1A Q16665 2/20 0.44
HTR3A P46098 1/20 0.44
TSHR P16473 1/20 0.44
PEPD P12955 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
SRC P12931 1/20 0.43
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 2/20 0.43
APEX1 P27695 1/20 0.43
LMNA P02545 3/20 0.42

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
SCHEMBL8126795 0.88 SRC (0.50) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL443291 0.82 MEN1 (0.47) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL4955731 0.81 ESR1 (0.40) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL1354759 0.80 ESR1 (0.42) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL12406374 0.80 ESR1 (0.42) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL1354755 0.80 ESR1 (0.42) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL4877111 0.80 HIF1A (0.48) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL7754587 0.79 SRC (0.64) ESR1ESR2PDCD1CD274CA2
SCHEMBL1064971 0.78 EPHX1 (0.60) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL10970686 0.78 ESR1 (0.43) ESR1ESR2PDCD1CD274TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441724-B8 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS SERONO LAB (CH) 2007-10-17 EP claimed
JP-2005504093-A 2005-02-10 JP claimed
EP-1441724-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS Applied Research Systems ARS Holding S.A. (AN) 2004-08-04 EP claimed
WO-2003026649-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-04-03 WO claimed
EP-2593434-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-05-22 EP disclosed
WO-2012007836-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA .LP. (US) 2012-01-19 WO disclosed
EP-1441724-B8 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS SERONO LAB (CH) 2007-10-17 EP disclosed
EP-1441724-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS Applied Research Systems ARS Holding S.A. (AN) 2004-08-04 EP disclosed
WO-2003026649-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-04-03 WO disclosed