SCHEMBL4036974

SCHEMBL4036974

O=C(NCc1ccccc1)C(CCc1ccccc1)C1(c2cccc3ccccc23)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GSK3B P49841 1/20 0.45
MMP8 P22894 1/20 0.44
KMT2A Q03164 2/20 0.42
METAP2 P50579 3/20 0.42
METAP1 P53582 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 2/20 0.37
MMP1 P03956 1/20 0.37
FCER2 P06734 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MASP2 O00187 1/20 0.37
F2 P00734 1/20 0.37
HPGD P15428 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL4039856 0.83 HPGD (0.44) MMP8KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL21012467 0.68 MMP8 (0.65) MMP8KMT2AALDH1A1SMN1; SMN2EPHX1
SCHEMBL4035018 0.66 ACE (0.41) KDM4EMMP8KMT2AALDH1A1SMN1; SMN2
SCHEMBL4038962 0.65 MASP2 (0.42) KMT2AMETAP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL7860770 0.64 EGFR (0.53) KDM4EGSK3BKMT2AMEN1MAPT
SCHEMBL7860766 0.64 EGFR (0.53) KDM4EGSK3BKMT2AMEN1MAPT
SCHEMBL29971510 0.64 KDM4E (1.00) KDM4EGSK3BKMT2ATRPV1ALDH1A1
SCHEMBL1395176 0.64 KDM4E (1.00) KDM4EGSK3BKMT2ATRPV1ALDH1A1
SCHEMBL14444023 0.63 KDM4E (0.55) KDM4EGSK3BMMP8KMT2AMETAP2
SCHEMBL714386 0.63 KMT2A (0.59) MMP8KMT2AALDH1A1EPHX1MEN1

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