SCHEMBL1032207

SCHEMBL1032207

Cc1cn(C)c(OC(=O)Nc2ccccc2)c1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN7 P35236 2/20 0.39
KDM4D Q6B0I6 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 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
SCHEMBL1030275 0.84 L3MBTL1 (0.40) ALDH1A1GAAHTTPTPN7MAPT
SCHEMBL1032220 0.80 RAB9A (0.47) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1031252 0.79 TDP1 (0.44) ALDH1A1PTPN7MEN1HPGDBLM
SCHEMBL1031516 0.73 LMNA (0.54) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL1032179 0.73 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1029657 0.73 ALDH1A1 (0.48) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1032390 0.71 P2RX7 (0.42)
SCHEMBL1028305 0.69 ALDH1A1 (0.46) ALDH1A1GAAPTPN7MAPTKDM4E
SCHEMBL1031570 0.68 MEN1 (0.38) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL28731981 0.67 KMT2A (0.46) ALDH1A1GAAHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO disclosed