SCHEMBL4036736

SCHEMBL4036736

Cc1oncc1C1(C(C(=O)NC2CCCCC2)C2CCCCC2)Nc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 6/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4044509 0.82 TSHR (0.44) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4042729 0.80 HPGD (0.44) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4044367 0.80 PKM (0.40) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4036690 0.80 TSHR (0.43) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4039886 0.80 POLB (0.47) TSHRHPGDKMT2AMEN1NPC1
SCHEMBL4039455 0.79 KMT2A (0.48) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4041338 0.79 SMN1; SMN2 (0.41) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4041189 0.79 NPC1 (0.41) LMNATSHRHPGDKMT2AMEN1
SCHEMBL4044962 0.79 KMT2A (0.49) TSHRHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL4040611 0.79 NR1H4 (0.39) TSHRHPGDKMT2AMEN1NPC1

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 2 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 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