SCHEMBL4036803

SCHEMBL4036803

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2cccc(OC(F)F)c2)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
METAP2 P50579 2/20 0.40
METAP1 P53582 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 4/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4036240 0.90 EPHX1 (0.43) L3MBTL1METAP2METAP1ALDH1A1FAAH
SCHEMBL4039200 0.90 PKM (0.50) METAP2METAP1ALDH1A1HTTFAAH
SCHEMBL4036471 0.90 SMN1; SMN2 (0.42) L3MBTL1METAP2METAP1ALDH1A1HTT
SCHEMBL4038973 0.85 NPC1 (0.46) ALDH1A1HTTRAB9AKMT2AMEN1
SCHEMBL4042940 0.85 TSHR (0.45) METAP2METAP1ALDH1A1HTTRAB9A
SCHEMBL4037171 0.84 NPC1 (0.47) RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4037071 0.83 EPHX1 (0.46) L3MBTL1METAP2METAP1ALDH1A1HTT
SCHEMBL4037602 0.82 EPHX1 (0.50) METAP2METAP1ALDH1A1HTTFAAH
SCHEMBL4044228 0.82 TSHR (0.41) ALDH1A1HTTRAB9AKMT2AMEN1
SCHEMBL4034657 0.82 SMN1; SMN2 (0.50) L3MBTL1HTTRAB9AKMT2AMEN1

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