SCHEMBL14743756

SCHEMBL14743756

COC(=O)c1cc(N(C)C(=O)c2ccncc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 16/20 0.46
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM1 Q13255 1/20 0.38
ACLY P53396 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14743979 0.90 TSHR (0.42) GPBAR1KMT2AACLYL3MBTL1
SCHEMBL14743289 0.88 ALDH1A1 (0.49) GPBAR1L3MBTL1
SCHEMBL14743723 0.87 KDM4E (0.47) GPBAR1KDM4EKMT2AGRM1ACLY
SCHEMBL14744024 0.87 GPBAR1 (0.42) GPBAR1ACLY
SCHEMBL14743988 0.85 HTT (0.39) GPBAR1KDM4EKMT2AACLY
SCHEMBL14743641 0.84 RAB9A (0.45) GPBAR1KMT2AL3MBTL1
SCHEMBL14743624 0.81 GPBAR1 (0.38) GPBAR1KDM4EACLYL3MBTL1
SCHEMBL14743646 0.79 TSHR (0.43) KDM4EKMT2AACLYL3MBTL1
SCHEMBL14743081 0.78 PYGL (0.42) GPBAR1KDM4EKMT2AL3MBTL1
SCHEMBL14743613 0.78 SENP1 (0.44) KDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed