SCHEMBL1920485

SCHEMBL1920485

COc1ccc(S(=O)(=O)N(c2ccccc2Cl)C(C(=O)O)c2cc(OC)ccc2S(=O)(=O)N(CC(=O)N2CCCC2c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KEAP1 Q14145 8/20 0.40
NFE2L2 Q16236 5/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
OXTR P30559 3/20 0.37
AVPR1A P37288 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36

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
SCHEMBL1921725 0.95 CRHBP (0.43) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL1919868 0.92 CRHBP (0.48) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL1921210 0.90 KEAP1 (0.41) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL1920870 0.88 OXTR (0.46) KEAP1NFE2L2ALDH1A1LMNAOXTR
SCHEMBL1920212 0.88 CRHBP (0.44) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL1629056 0.87 CRHBP (0.56) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL1919944 0.85 CRHBP (0.47) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL1920182 0.85 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL1920350 0.85 MAPT (0.43) KEAP1NFE2L2ALDH1A1LMNAOXTR
SCHEMBL1920824 0.84 KMT2A (0.43) KEAP1NFE2L2ALDH1A1LMNAOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP disclosed