SCHEMBL4039200

SCHEMBL4039200

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2cccc(Oc3ccccc3)c2)Nc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 3/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
MAPT P10636 2/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 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
SCHEMBL4037602 0.91 EPHX1 (0.50) PKMEPHX1LMNAMETAP2METAP1
SCHEMBL4036803 0.90 L3MBTL1 (0.45) METAP2METAP1ALDH1A1RAB9AFAAH
SCHEMBL4036240 0.88 EPHX1 (0.43) EPHX1METAP2METAP1ALDH1A1RAB9A
SCHEMBL4042940 0.87 TSHR (0.45) EPHX1NPC1LMNAMETAP2METAP1
SCHEMBL4038973 0.85 NPC1 (0.46) NPC1ALDH1A1RAB9AHTTTP53
SCHEMBL4037171 0.84 NPC1 (0.47) NPC1LMNARAB9AALOX12TP53
SCHEMBL4037071 0.83 EPHX1 (0.46) EPHX1NPC1LMNAMETAP2METAP1
SCHEMBL4037396 0.82 METAP2 (0.46) PKMEPHX1LMNAMETAP2METAP1
SCHEMBL4044228 0.82 TSHR (0.41) EPHX1NPC1ALDH1A1RAB9AHTT
SCHEMBL4034657 0.82 SMN1; SMN2 (0.50) PKMEPHX1NPC1RAB9AHTT

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