SCHEMBL4040874

SCHEMBL4040874

COc1ccc(C2(C(C(=O)NCc3ccccc3)C3CCCCC3)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CTSD P07339 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.40
NR3C2 P08235 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40

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 0.86 MEN1 (0.48) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL1577410 0.86 MEN1 (0.48) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4044757 0.86 MEN1 (0.48) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4035711 0.86 TSHR (0.42) PTPN1NPC1RAB9AGAAMEN1
SCHEMBL4040175 0.85 KMT2A (0.50) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4039895 0.84 GAA (0.41) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4043637 0.84 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4035037 0.84 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4039125 0.84 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4044363 0.82 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2GAAMEN1

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 6 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
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