SCHEMBL4034668

SCHEMBL4034668

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccnc3ccccc23)Nc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 3/20 0.40
CTSB P07858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
FAP Q12884 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL4044346 0.82 EPHX1 (0.47) L3MBTL1EPHX1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4040357 0.81 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL4038768 0.81 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL4035291 0.80 EGFR (0.42) SMN1; SMN2KDM4EALDH1A1LMNAGAA
SCHEMBL4039514 0.80 IDO1 (0.41) IDO1EPHX1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4039455 0.79 KMT2A (0.48) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL4036317 0.79 HPGD (0.43) EPHX1KDM4EALDH1A1HPGDPOLB
SCHEMBL4041730 0.78 C3AR1 (0.46) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL4042940 0.78 TSHR (0.45) EPHX1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4034866 0.78 EPHX1 (0.39) IDO1EPHX1SMN1; SMN2KDM4EALDH1A1

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