SCHEMBL4043049

SCHEMBL4043049

O=C(c1ccccc1)c1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
EPHX1 P07099 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 1/20 0.38
EZH2 Q15910 1/20 0.38
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4042940 0.91 TSHR (0.45) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4040671 0.89 NPC1 (0.45) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4039101 0.86 NR1H4 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4044540 0.86 NR1H4 (0.44) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL4037453 0.86 EPHX1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4042732 0.86 NR1H4 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4040005 0.86 KMT2A (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4040480 0.86 NR1H4 (0.44) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL4037602 0.86 EPHX1 (0.50) SMN1; SMN2ALDH1A1LMNARAB9ATSHR
SCHEMBL4043896 0.84 HTT (0.42) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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