SCHEMBL4037396

SCHEMBL4037396

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccccc2Oc2ccccc2)Nc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.46
METAP1 P53582 1/20 0.46
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4040899 0.86 KDM4E (0.47) METAP2METAP1HTTEPHX1ALDH1A1
SCHEMBL4039869 0.86 HPGD (0.45) ALDH1A1RAB9ALMNATSHRHPGD
SCHEMBL4037602 0.85 EPHX1 (0.50) METAP2METAP1MAPTHTTEPHX1
SCHEMBL4044158 0.84 GAA (0.47) ALDH1A1RAB9ALMNATSHRHPGD
SCHEMBL4039200 0.82 PKM (0.50) METAP2METAP1MAPTHTTEPHX1
SCHEMBL4039455 0.82 KMT2A (0.48) MAPTHTTALDH1A1RAB9ALMNA
SCHEMBL4037895 0.82 HPGD (0.43) ALDH1A1RAB9ALMNATSHRHPGD
SCHEMBL4034357 0.82 HPGD (0.43) ALDH1A1RAB9ALMNATSHRHPGD
SCHEMBL4042940 0.81 TSHR (0.45) METAP2METAP1HTTEPHX1ALDH1A1
SCHEMBL4044757 0.81 MEN1 (0.48) MAPTALDH1A1RAB9ASMN1; SMN2MEN1

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