SCHEMBL1031252

SCHEMBL1031252

Cc1cn(C)c(OC(=O)NC2CCCC2)c1-c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PTPN7 P35236 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1031506 0.87 NPC1 (0.37) TDP1RAB9ANPC1ALDH1A1MEN1
SCHEMBL1031744 0.81 NPC1 (0.49) TDP1RAB9ANPC1ALDH1A1PTPN7
SCHEMBL1031514 0.80 CNR2 (0.47) ALDH1A1
SCHEMBL1032207 0.79 ADORA3 (0.40) TDP1RAB9ANPC1ALDH1A1PTPN7
SCHEMBL1030275 0.79 L3MBTL1 (0.40) TDP1RAB9ANPC1ALDH1A1PTPN7
SCHEMBL1032179 0.71 ADORA3 (0.49) TDP1RAB9ANPC1ALDH1A1POLB
SCHEMBL1029657 0.71 ALDH1A1 (0.48) TDP1ALDH1A1MEN1USP2POLB
SCHEMBL1032390 0.68 P2RX7 (0.42)
SCHEMBL1027475 0.68 NPC1 (0.44) TDP1RAB9ANPC1PTPN7MEN1
SCHEMBL1030274 0.67 POLB (0.46) TDP1RAB9AALDH1A1PTPN7MEN1

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