SCHEMBL4040899

SCHEMBL4040899

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccccc2OC(F)F)Nc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.45
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FAAH O00519 3/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL4039869 0.87 HPGD (0.45) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL4037396 0.86 METAP2 (0.46) KDM4EHPGDMETAP2METAP1HTT
SCHEMBL4044158 0.85 GAA (0.47) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL4039455 0.83 KMT2A (0.48) KDM4EHPGDHTTALDH1A1TSHR
SCHEMBL4036471 0.83 SMN1; SMN2 (0.42) KDM4EHPGDMETAP2METAP1HTT
SCHEMBL4034357 0.82 HPGD (0.43) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL4037895 0.82 HPGD (0.43) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL4036690 0.81 TSHR (0.43) KDM4EHPGDHTTALDH1A1TSHR
SCHEMBL4036803 0.81 L3MBTL1 (0.45) KDM4EMETAP2METAP1HTTALDH1A1
SCHEMBL4044888 0.81 KMT2A (0.45) KDM4EHTTALDH1A1TSHRMEN1

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