SCHEMBL4037069

SCHEMBL4037069

CCCCNC(=O)C(C1=COCO1)n1c(-c2cccn2C)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.36
ASAH1 Q13510 2/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 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
SCHEMBL4037072 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL3567092 0.84 USP2 (0.45) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL3567094 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL4207251 0.69 KDM4E (0.44) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL3571809 0.65 RORC (0.43) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL29880813 0.65 RORC (0.43) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL3570731 0.65 RORC (0.48) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL29881284 0.65 RORC (0.48) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL3566327 0.64 HCRTR1 (0.43) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL3567847 0.63 IRAK4 (0.42) ALDH1A1KDM4ESMN1; SMN2TSHRLMNA

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 7 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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed
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