SCHEMBL4044794

SCHEMBL4044794

COc1ccc(C2(C(CCc3ccccc3)C(=O)NC(C)C)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4040042 0.87 MEN1 (0.46) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4038005 0.84 HPGD (0.41) MEN1KMT2ANPC1ALDH1A1TAS1R3
SCHEMBL4034784 0.82 MEN1 (0.44) MEN1KMT2ANPC1ALDH1A1POLB
SCHEMBL16569043 0.78 ALDH1A1 (0.41) MEN1KMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL4039856 0.77 HPGD (0.44) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL4038935 0.76 METAP2 (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4035018 0.76 ACE (0.41) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4043117 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL4038962 0.75 MASP2 (0.42) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL4044427 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1GAAL3MBTL1

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