SCHEMBL4039555

SCHEMBL4039555

COc1cccc(C2(C(C(=O)NC(C)C)c3ccc(Cl)cc3)Nc3ccccc3N2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
UTS2R Q9UKP6 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LPAR1 Q92633 1/20 0.34
FPR1 P21462 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4038175 0.77 METAP2 (0.37) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4036919 0.76 CNR1 (0.38) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4040790 0.73 HCRTR1 (0.41) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL16569002 0.70 HPGD (0.38) USP2ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL4034357 0.69 HPGD (0.43) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL4037816 0.69 HPGD (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29881271 0.64 NR1H4 (0.45) ATMMEN1KMT2AFPR1MAPT
SCHEMBL1287661 0.63 NPC1 (0.37) ALDH1A1LMNAATMFPR1TP53
SCHEMBL4038094 0.61 TSHR (0.45) USP2ALDH1A1MEN1KMT2ATP53
SCHEMBL4039869 0.60 HPGD (0.45) ALDH1A1LMNAATML3MBTL1MEN1

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