SCHEMBL4040716

SCHEMBL4040716

CC(=O)Nc1cccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 6/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 3/20 0.40
EPHX1 P07099 2/20 0.40
TSHR P16473 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
MERTK Q12866 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL4034540 0.89 DHODH (0.46) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL4037171 0.85 NPC1 (0.47) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL4038973 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4042940 0.84 TSHR (0.45) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL4034657 0.83 SMN1; SMN2 (0.50) PKMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4365264 0.82 GHSR (0.38) PKMALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4039067 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4044228 0.81 TSHR (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4036803 0.81 L3MBTL1 (0.45) RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4039200 0.81 PKM (0.50) PKMNPC1LMNARAB9ASMN1; SMN2

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