SCHEMBL4038935

SCHEMBL4038935

COc1ccccc1C1(C(CCc2ccccc2)C(=O)NC2CCCC2)Nc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
APLNR P35414 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
MMP2 P08253 4/20 0.41
MMP3 P08254 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.40
ATM Q13315 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL4036682 0.92 METAP2 (0.44) METAP2APLNRALDH1A1HPGDPOLB
SCHEMBL4040042 0.89 MEN1 (0.46) METAP2HPGDSMN1; SMN2MEN1MAPT
SCHEMBL4039856 0.84 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
SCHEMBL4039869 0.83 HPGD (0.45) ALDH1A1HPGDMEN1TSHRKMT2A
SCHEMBL4038005 0.79 HPGD (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4035090 0.79 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2MMP2MMP3
SCHEMBL4043336 0.78 OPRD1 (0.41) ALDH1A1HPGDSMN1; SMN2MMP2MMP3
SCHEMBL4036448 0.77 HPGD (0.43) ALDH1A1HPGDPOLBHTTMEN1
SCHEMBL4043117 0.77 MEN1 (0.46) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL4044794 0.76 MEN1 (0.51) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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