SCHEMBL4035188

SCHEMBL4035188

CC(C)CC(C(=O)NC1CCCCC1)C1(c2ccc(N)cc2)Nc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
EPHX1 P07099 4/20 0.42
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR1 P32246 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4041142 0.91 POLB (0.44) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4034548 0.90 POLB (0.43) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4036474 0.90 POLB (0.43) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4037380 0.89 POLB (0.42) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4036763 0.89 POLB (0.42) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4043346 0.84 POLB (0.42) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4037453 0.84 EPHX1 (0.43) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4036794 0.83 EPHX2 (0.44) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4037580 0.81 TSHR (0.40) POLBEPHX1TSHRKMT2AMEN1
SCHEMBL4041199 0.78 SMN1; SMN2 (0.47) POLBEPHX1TSHRKMT2AMEN1

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