SCHEMBL432934

SCHEMBL432934

CN(C(=O)O)c1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KCNA5 P22460 1/20 0.34
GRM5 P41594 8/20 0.34
GRM1 Q13255 1/20 0.34
BCAT2 O15382 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
ATR Q13535 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL28189368 0.80 HCAR2 (0.38) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL28003019 0.77 ALOX15 (0.38) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL965251 0.75 NOTUM (0.51) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL3507485 0.74 POLB (0.48) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL27810412 0.73 HCAR2 (0.44) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL481904 0.73 KDM4E (0.58) KDM4EKMT2AALDH1A1MEN1GRM1
SCHEMBL4763042 0.72 HTT (0.45) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL22289328 0.72 HCAR2 (0.40) HCAR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL27969677 0.71 CA12 (0.32) KMT2AALDH1A1
SCHEMBL3511819 0.70 KDM4E (0.53) HCAR2KDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549875-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-01-30 EP claimed
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO claimed
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN disclosed
WO-2012010578-A1 SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 WO disclosed
WO-2012010578-A1 SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 WO disclosed