SCHEMBL5540334

SCHEMBL5540334

CCOc1ccccc1C(=O)NC1N=CC2=CN(C(=O)c3cccnc3SCC)CCC2=N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR7 P34969 4/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM5A P29375 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL5545006 0.80 MAPT (0.40) USP2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5548738 0.79 HTR7 (0.42) USP2ALDH1A1MEN1KMT2AHTR7
SCHEMBL5540338 0.76 MEN1 (0.40) USP2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5537988 0.70 HRH3 (0.40) MEN1KMT2A
SCHEMBL3530792 0.66 PDGFRB (0.47) MEN1KMT2A
SCHEMBL5547993 0.64 GRM5 (0.41) USP2ALDH1A1L3MBTL1
SCHEMBL5546577 0.61 CHRM5 (0.38) ALDH1A1MEN1KMT2AOPRK1LMNA
SCHEMBL13753936 0.58 HPGD (0.51) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL21233205 0.58 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4773044 0.58 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed