SCHEMBL4034740

SCHEMBL4034740

COc1ccc2c(c1)NC(c1ccc(OC)c(Cl)c1)(C(C(=O)NC1CCCCC1)C1CCCC1)N2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
EPHX2 P34913 1/20 0.39
RAB9A P51151 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
SCHEMBL4036829 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4043762 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4035528 0.99 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4035053 0.93 LMNA (0.44) MEN1KMT2AALDH1A1NPC1NR1H4
SCHEMBL4041511 0.93 LMNA (0.44) MEN1KMT2AALDH1A1NPC1NR1H4
SCHEMBL4038748 0.93 LMNA (0.44) MEN1KMT2AALDH1A1NPC1NR1H4
SCHEMBL4044980 0.92 LMNA (0.43) MEN1KMT2AALDH1A1NPC1NR1H4
SCHEMBL4039159 0.92 LMNA (0.42) MEN1KMT2AALDH1A1NPC1NR1H4
SCHEMBL4040352 0.91 KMT2A (0.44) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL4037528 0.91 KMT2A (0.44) MEN1KMT2AL3MBTL1ALDH1A1NPC1

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