SCHEMBL4039856

SCHEMBL4039856

COc1ccccc1C1(C(CCc2ccccc2)C(=O)NCc2ccccc2)Nc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MMP8 P22894 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4036974 0.83 KDM4E (0.45) HPGDMMP8MEN1KMT2AMAPT
SCHEMBL4044794 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4036682 0.77 METAP2 (0.44) HPGDALDH1A1
SCHEMBL4040874 0.69 PTPN1 (0.44) HPGDTP53MEN1KMT2APTPN1
SCHEMBL21012467 0.67 MMP8 (0.65) MMP8KMT2ATSHRALDH1A1GAA
SCHEMBL4035018 0.67 ACE (0.41) HPGDMMP8MEN1KMT2ATSHR
SCHEMBL5604458 0.65 HDAC1 (0.76) HPGDTP53GLAMEN1KMT2A
SCHEMBL16569002 0.65 HPGD (0.38) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL21582601 0.65 ALDH1A1 (0.60) TAAR1MMP8MEN1KMT2ATSHR
SCHEMBL28465013 0.64 NPC1 (0.81) HPGDTP53GLATAAR1MEN1

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