SCHEMBL4040713

SCHEMBL4040713

COc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3cccc(C)c3N2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 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
SCHEMBL4034697 0.91 MEN1 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1577410 0.91 MEN1 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4044757 0.91 MEN1 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4040407 0.86 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4037562 0.86 MEN1 (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4041492 0.85 MEN1 (0.47) MEN1KMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL4041054 0.85 MEN1 (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4043980 0.85 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4044363 0.85 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4035047 0.84 MEN1 (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1

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