SCHEMBL4034784

SCHEMBL4034784

COc1ccc(C2(C(CCCc3ccccc3)C(=O)O)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MTNR1B P49286 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL16569043 0.83 ALDH1A1 (0.41) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL4044794 0.82 MEN1 (0.51) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL4040042 0.79 MEN1 (0.46) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL4043117 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4043642 0.71 CTSD (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4040874 0.71 PTPN1 (0.44) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL4039856 0.70 HPGD (0.44) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL4044427 0.69 MEN1 (0.48) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4038935 0.67 METAP2 (0.43) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4044757 0.66 MEN1 (0.48) MEN1KMT2ANPC1ALDH1A1MAPT

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 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