SCHEMBL5243161

SCHEMBL5243161

O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.57
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
ERCC1 P07992 1/20 0.45
DNASE1 P24855 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
EPHX2 P34913 3/20 0.43
PPARG P37231 2/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MDM2 Q00987 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
APP P05067 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
SCHEMBL5241978 0.93 PGR (0.57) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242664 0.92 PGR (0.65) PGRLMNAHTTERCC1DNASE1
SCHEMBL5243425 0.92 LMNA (0.64) PGRLMNAHTTERCC1DNASE1
SCHEMBL5244095 0.86 EPHX2 (0.52) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242867 0.86 PGR (0.48) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242850 0.86 PGR (0.51) PGRLMNAHTTERCC1DNASE1
SCHEMBL5240296 0.86 PGR (0.51) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242617 0.83 PGR (0.60) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242011 0.83 PGR (0.51) PGRLMNAHTTERCC1DNASE1
SCHEMBL5244011 0.83 EPHX2 (0.54) PGRLMNAHTTERCC1DNASE1

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
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US claimed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed