SCHEMBL4044158

SCHEMBL4044158

CCOc1ccccc1C1(C(C(=O)NC2CCCCC2)C2CCCCC2)Nc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MMP1 P03956 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4039869 0.87 HPGD (0.45) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL4040899 0.85 KDM4E (0.47) ALDH1A1KMT2AHPGDMEN1TSHR
SCHEMBL4044962 0.85 KMT2A (0.49) ALDH1A1KMT2AHPGDMEN1TSHR
SCHEMBL4037396 0.84 METAP2 (0.46) ALDH1A1LMNAALOX12KMT2AHPGD
SCHEMBL4037895 0.83 HPGD (0.43) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL4034357 0.83 HPGD (0.43) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL4036690 0.82 TSHR (0.43) GAAALDH1A1LMNAKMT2AHPGD
SCHEMBL4034833 0.82 CNR2 (0.47) GAAALDH1A1LMNAALOX12KMT2A
SCHEMBL4039455 0.82 KMT2A (0.48) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL4044367 0.80 PKM (0.40) ALDH1A1LMNAKMT2AHPGDMEN1

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