SCHEMBL4043079

SCHEMBL4043079

Cc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)on1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 8/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
S1PR1 P21453 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4039886 0.90 POLB (0.47) TSHRPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4040007 0.84 TSHR (0.47) TSHRPOLBATMNPC1RAB9A
SCHEMBL4037247 0.81 ATM (0.38) POLBATMNPC1RAB9AIDO1
SCHEMBL4039735 0.78 NPC1 (0.39) POLBATMNPC1RAB9AIDO1
SCHEMBL4039551 0.78 NPC1 (0.39) POLBATMNPC1RAB9AIDO1
SCHEMBL4036972 0.77 NPC1 (0.41) POLBNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL4036796 0.77 NPC1 (0.41) POLBNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL4034809 0.77 IDO1 (0.42) POLBNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL4034659 0.77 NPC1 (0.43) TSHRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4040710 0.76 NPC1 (0.42) POLBNPC1RAB9ASMN1; SMN2IDO1

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