SCHEMBL2903583

SCHEMBL2903583

Cn1c(CNS(=O)(=O)c2cccc(Cl)c2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
HSD11B1 P28845 5/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP19A1 P11511 1/20 0.40
CCR1 P32246 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PGR P06401 1/20 0.38
PTGES2 Q9H7Z7 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
SCHEMBL2901352 0.73 HSD11B1 (0.48) HSD11B1
SCHEMBL4490242 0.72 ALDH1A1 (0.42) HSD11B1ALDH1A1PKMKDM4ECYP19A1
SCHEMBL1380439 0.71 OPRL1 (0.62)
SCHEMBL4490618 0.70 OPRL1 (0.57) HSD11B1ALDH1A1PKMHTR6CYP19A1
SCHEMBL4505757 0.70 PGR (0.48) ALDH1A1PKMKDM4ELMNACYP19A1
SCHEMBL12919530 0.69 RXFP1 (0.46) RXFP1ALDH1A1LMNACYP19A1KMT2A
SCHEMBL2929394 0.69 LMNA (0.49) ALDH1A1LMNACCR1KDRKMT2A
SCHEMBL908983 0.69 OPRL1 (0.47)
SCHEMBL2907793 0.69 CNR1 (0.48) LMNAKMT2AMEN1
SCHEMBL1377778 0.68 OPRL1 (0.53) ALDH1A1PKMHTR6

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
EP-1899298-B1 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-08-18 EP disclosed
EP-1899298-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000505-A2 DERIVATIVES OF 4,5-DIARYLPYRROLE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-04 WO disclosed