SCHEMBL4040175

SCHEMBL4040175

COc1ccc(C2(C(C(=O)NC(c3ccccc3)c3ccccc3)C3CCCCC3)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 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
SCHEMBL4039125 0.92 MEN1 (0.42) KMT2AMEN1ALDH1A1HTTMAPK1
SCHEMBL1577410 0.87 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4034697 0.87 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4044757 0.87 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4035037 0.85 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL4043637 0.85 RAB9A (0.41) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4040874 0.85 PTPN1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4044363 0.83 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL4043980 0.83 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL4366622 0.82 MEN1 (0.40) KMT2AMEN1ALDH1A1HTTMAPK1

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-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