SCHEMBL1030941

SCHEMBL1030941

CCOc1ccccc1CNC(=O)Oc1c(-c2ccc(OC)cc2)c(C)cn1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.42
EDNRB P24530 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL1032372 0.85 TP53 (0.54) TP53MAPTPOLBHPGDLMNA
SCHEMBL1032701 0.84 ALDH1A1 (0.44) TP53MAPTHPGDLMNAALDH1A1
SCHEMBL1030186 0.79 GAA (0.46) TP53POLBHPGDLMNAKDM4E
SCHEMBL1031583 0.72 LMNA (0.49) POLBHPGDLMNAKDM4ESMN1; SMN2
SCHEMBL1031357 0.70 P2RX7 (0.46)
SCHEMBL1032279 0.69 PPARG (0.42) TP53MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL4438882 0.69 FAAH (0.58) MAPTPOLBHPGDLMNAKDM4E
SCHEMBL1032752 0.69 EPHX1 (0.40)
SCHEMBL1030487 0.69 ROCK2 (0.43) TP53MAPTTHRBMEN1KMT2A
SCHEMBL1032113 0.68 ALDH1A1 (0.51) TP53MAPTHPGDALDH1A1

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