SCHEMBL4044511

SCHEMBL4044511

O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc(F)c(F)c2F)Nc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
C3AR1 Q16581 3/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4044888 0.91 KMT2A (0.45) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4041113 0.90 NPC1 (0.40) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4039455 0.87 KMT2A (0.48) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4041108 0.86 NPC1 (0.46) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4044499 0.85 CNR1 (0.42) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4039445 0.85 CNR1 (0.42) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4040697 0.84 NPC1 (0.44) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4036629 0.84 NPC1 (0.49) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL4044809 0.83 NPC1 (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4041164 0.82 NPC1 (0.42) EPHX2NPC1RAB9AKMT2AMEN1

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