SCHEMBL4037453

SCHEMBL4037453

Nc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
METAP2 P50579 3/20 0.39
TSHR P16473 3/20 0.39
METAP1 P53582 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
CCR1 P32246 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 0.90 TSHR (0.45) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4041199 0.89 SMN1; SMN2 (0.47) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4040005 0.88 KMT2A (0.43) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4042732 0.88 NR1H4 (0.44) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4039101 0.88 NR1H4 (0.44) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4043896 0.86 HTT (0.42) KMT2AHTTSMN1; SMN2MEN1TSHR
SCHEMBL4755424 0.86 SMN1; SMN2 (0.42) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4041915 0.86 SMN1; SMN2 (0.42) EPHX1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL4040671 0.86 NPC1 (0.45) EPHX1RAB9AGAAKMT2AHTT
SCHEMBL4043049 0.86 SMN1; SMN2 (0.46) EPHX1RAB9AGAAKMT2AHTT

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