SCHEMBL4038833

SCHEMBL4038833

COc1ccc(C2(C(C(=O)NC3CCCCC3)C3CC=CCC3)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
NPC1 O15118 2/20 0.37
F2 P00734 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL4034697 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL1577410 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4044757 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4040460 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4040407 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4040713 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4035047 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4037562 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL4041492 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4041054 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9AL3MBTL1

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