SCHEMBL4041492

SCHEMBL4041492

COc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3cc(Cl)c(Cl)cc3N2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4040407 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1577410 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4034697 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4044757 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4035047 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4037562 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4040713 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4040460 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4036829 0.83 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4034740 0.83 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA

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-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed