SCHEMBL4044341

SCHEMBL4044341

CCCCNC(=O)C(c1ccccc1F)C1(c2ccc(OC)cc2OC)Nc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CTSD P07339 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.36
LPAR1 Q92633 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL4043642 0.87 CTSD (0.46) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL4043634 0.87 CTSD (0.42) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL4036859 0.84 CTSD (0.40) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL4038953 0.83 HCRTR1 (0.43) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL4035711 0.78 TSHR (0.42) MEN1KMT2AMAPTALDH1A1PTPN1
SCHEMBL4043313 0.75 TSHR (0.38) MEN1KMT2A
SCHEMBL4036919 0.75 CNR1 (0.38) CTSDALDH1A1PTPN1
SCHEMBL4039895 0.72 GAA (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4040091 0.72 LMNA (0.40) MEN1KMT2ACTSD
SCHEMBL4043117 0.70 MEN1 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1

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