SCHEMBL4040857

SCHEMBL4040857

COc1ccc2[nH]cc(-c3c(C(=O)O)[nH]c4cccc(S(=O)(=O)c5ccc(C)cc5)c34)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ MEN1 O00255 11/20 0.44
▸ KMT2A Q03164 11/20 0.44
▸ GAA P10253 9/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MITF O75030 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 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
SCHEMBL4040165 0.77 MAPT (0.47) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL3333256 0.77 MEN1 (0.50) MAPTMEN1KMT2AGAACDK5
SCHEMBL3335935 0.71 MAPT (0.48) MAPTMEN1KMT2AGAATP53
SCHEMBL5618522 0.69 MAPT (0.61) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL5784803 0.68 MAPT (0.78) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL13302308 0.68 PTPN5 (0.55) MAPTMEN1KMT2AGAALMNA
SCHEMBL6109703 0.68 MAPT (0.81) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL5960514 0.67 GAA (0.43) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL4039529 0.67 ALDH1A1 (0.40) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL18392429 0.66 PDE4B (0.56) MAPTMEN1KMT2ALMNATP53

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-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 — — EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 — — WO disclosed
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