SCHEMBL640430

SCHEMBL640430

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)O)(c3ccccc3)C(C)(C)C)c3cc(C#N)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
STAT3 P40763 2/20 0.35
HTR6 P50406 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CCR6 P51684 1/20 0.35
TRIM24 O15164 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
TDP2 O95551 1/20 0.35
CTSG P08311 1/20 0.34

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
SCHEMBL15891015 0.87 CXCL8 (0.42) PPARGPPARDPPARAALDH1A1HTR6
SCHEMBL640146 0.86 PPARG (0.45) PPARGPPARDPPARAALDH1A1HTR6
SCHEMBL639664 0.78 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1KEAP1NFE2L2
SCHEMBL639665 0.74 MMP2 (0.44) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL639891 0.73 PTGDR2 (0.39) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL640431 0.72 MMP2 (0.40) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL640722 0.71 HCRTR1 (0.35) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL641893 0.70 HCRTR1 (0.40) HCRTR1HCRTR2ALDH1A1CCR6
SCHEMBL639699 0.69 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1FNTAFNTB
SCHEMBL639854 0.69 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1FNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed