SCHEMBL4037602

SCHEMBL4037602

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc(Oc3ccccc3)cc2)Nc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.45
ALOX12 P18054 3/20 0.45
METAP2 P50579 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
METAP1 P53582 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.41
NPY5R Q15761 1/20 0.39
FAAH O00519 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
SCHEMBL4039200 0.91 PKM (0.50) EPHX1LMNAMAPTALOX12METAP2
SCHEMBL4042940 0.90 TSHR (0.45) EPHX1LMNAMETAP2HTTALDH1A1
SCHEMBL4036471 0.88 SMN1; SMN2 (0.42) METAP2HTTALDH1A1SMN1; SMN2METAP1
SCHEMBL4044805 0.88 SMN1; SMN2 (0.53) EPHX1LMNAMETAP2ALDH1A1SMN1; SMN2
SCHEMBL4043049 0.86 SMN1; SMN2 (0.46) EPHX1LMNAMETAP2HTTALDH1A1
SCHEMBL4039101 0.85 NR1H4 (0.44) EPHX1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4042732 0.85 NR1H4 (0.44) EPHX1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4040005 0.85 KMT2A (0.43) EPHX1LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4037453 0.85 EPHX1 (0.43) EPHX1MAPTMETAP2HTTALDH1A1
SCHEMBL4037396 0.85 METAP2 (0.46) EPHX1LMNAMAPTALOX12METAP2

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