SCHEMBL4043642

SCHEMBL4043642

CCCCNC(=O)C(c1ccccc1)C1(c2ccc(OC)cc2OC)Nc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.46
LMNA P02545 1/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.40
NAAA Q02083 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL4043634 0.96 CTSD (0.42) CTSDLMNAPAX8MEN1KMT2A
SCHEMBL4036859 0.93 CTSD (0.40) CTSDLMNAPAX8MEN1KMT2A
SCHEMBL4038953 0.91 HCRTR1 (0.43) CTSDLMNAMEN1KMT2AHDAC3
SCHEMBL4044341 0.87 C5AR1 (0.40) CTSDMEN1KMT2AHDAC3HDAC1
SCHEMBL4040091 0.84 LMNA (0.40) CTSDLMNAPAX8MEN1KMT2A
SCHEMBL4036919 0.83 CNR1 (0.38) CTSDPTPN1ALDH1A1CNR1CNR2
SCHEMBL4035711 0.79 TSHR (0.42) LMNAMEN1KMT2AHTTPTPN1
SCHEMBL4043117 0.73 MEN1 (0.46) MEN1KMT2AHCRTR1HCRTR2HTT
SCHEMBL4039895 0.73 GAA (0.41) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4043313 0.72 TSHR (0.38) MEN1KMT2ANPSR1

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