SCHEMBL4101077

SCHEMBL4101077

Cc1ccc(-c2c(C)cn(Cc3ccc(Br)cc3)c2OC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GPR183 P32249 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL1030436 0.94 S1PR1 (0.41) S1PR1S1PR5HPGDTP53MAPT
SCHEMBL4106837 0.89 HPGD (0.47) MEN1KMT2AHPGDTP53MAPT
SCHEMBL4116626 0.88 CNR1 (0.42) MEN1KMT2ATP53MAPT
SCHEMBL4102629 0.87 LMNA (0.44) MEN1KMT2ATP53
SCHEMBL4118046 0.82 HPGD (0.47) HPGDTP53
SCHEMBL2637874 0.81 PKM (0.47) S1PR1S1PR5PKMMEN1KMT2A
SCHEMBL1033418 0.81 CNR2 (0.47) HPGD
SCHEMBL4106296 0.80 KDM4E (0.44) PKMMEN1KMT2AHPGDMAPT
SCHEMBL4109233 0.78 SMN1; SMN2 (0.45) MEN1KMT2ATP53MAPT
SCHEMBL4096188 0.77 ICMT (0.38) MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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