SCHEMBL4039159

SCHEMBL4039159

COc1ccc2c(c1)NC(c1ccc(Cl)c(Cl)c1)(C(C(=O)NC1CCCC1)C1CCCC1)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC6A3 Q01959 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SSTR3 P32745 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
YAP1 P46937 1/20 0.36

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
SCHEMBL4038748 0.99 LMNA (0.44) LMNASLC6A3NR1H4MEN1KMT2A
SCHEMBL4041511 0.99 LMNA (0.44) LMNASLC6A3NR1H4MEN1KMT2A
SCHEMBL4035053 0.99 LMNA (0.44) LMNASLC6A3NR1H4MEN1KMT2A
SCHEMBL4044980 0.98 LMNA (0.43) LMNASLC6A3NR1H4MEN1KMT2A
SCHEMBL4035528 0.93 MEN1 (0.43) NR1H4MEN1KMT2ANPC1ALDH1A1
SCHEMBL4043762 0.92 MEN1 (0.45) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL4036829 0.92 MEN1 (0.45) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL4034364 0.92 NR1H4 (0.40) LMNANR1H4MEN1KMT2ACNR1
SCHEMBL4034740 0.92 MEN1 (0.45) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL4041388 0.92 NR1H4 (0.40) LMNANR1H4MEN1KMT2ACNR1

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