SCHEMBL4036794

SCHEMBL4036794

CC(C)CC(C(=O)NC1CCCCC1)C1(c2cccc(Cl)c2)Nc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
EPHX1 P07099 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MDM2 Q00987 1/20 0.39
SLC6A2 P23975 1/20 0.39
METAP2 P50579 2/20 0.38
METAP1 P53582 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4043346 0.89 POLB (0.42) RAB9ATSHRMEN1KMT2ALMNA
SCHEMBL4036474 0.89 POLB (0.43) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4034548 0.89 POLB (0.43) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4037580 0.89 TSHR (0.40) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4041142 0.84 POLB (0.44) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4035188 0.83 POLB (0.43) RAB9ATSHRMEN1KMT2ALMNA
SCHEMBL4036763 0.82 POLB (0.42) EPHX2RAB9ATSHRMEN1KMT2A
SCHEMBL4037380 0.82 POLB (0.42) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL4035068 0.77 NPC1 (0.46) EPHX2NPC1RAB9ATSHRMEN1
SCHEMBL4036448 0.76 HPGD (0.43) RAB9ATSHRMEN1KMT2AL3MBTL1

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