SCHEMBL4038962

SCHEMBL4038962

CC(C)NC(=O)C(CCc1ccccc1)C1(c2cccc(Cl)c2)Nc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
METAP2 P50579 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4041615 0.88 CNR1 (0.41) ALDH1A1PTGESTSHRLMNAPOLB
SCHEMBL4035018 0.83 ACE (0.41) ALDH1A1TSHRLMNAHTTGAA
SCHEMBL4038005 0.75 HPGD (0.41) ALDH1A1PTGESL3MBTL1LMNAMEN1
SCHEMBL4044794 0.75 MEN1 (0.51) ALDH1A1L3MBTL1GAAPOLBMEN1
SCHEMBL4043336 0.74 OPRD1 (0.41) ALDH1A1TSHRHTTTP53SMN1; SMN2
SCHEMBL4044238 0.73 CTSD (0.42) ALDH1A1TSHRHTTTP53MEN1
SCHEMBL4036974 0.65 KDM4E (0.45) MASP2METAP2MAPTALDH1A1MEN1
SCHEMBL5322005 0.65 ALDH1A1 (0.63) ALDH1A1LMNAHTTGAATP53
SCHEMBL4039856 0.64 HPGD (0.44) MAPTALDH1A1TSHRGAATP53
SCHEMBL23793678 0.62 MASP2 (0.72) MASP2METAP2MAPTALDH1A1KMT2A

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