SCHEMBL4043346

SCHEMBL4043346

CC(C)CC(C(=O)NC1CCCCC1)C1(c2cccc(O)c2)Nc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
EPHX1 P07099 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL4036794 0.89 EPHX2 (0.44) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4041142 0.89 POLB (0.44) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4037580 0.87 TSHR (0.40) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4035188 0.84 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4036474 0.84 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4034548 0.84 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4043336 0.83 OPRD1 (0.41) TSHRSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL4037380 0.83 POLB (0.42) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4036763 0.83 POLB (0.42) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4036448 0.77 HPGD (0.43) POLBTSHRKMT2AMEN1ALDH1A1

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 4 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-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