SCHEMBL18138792

SCHEMBL18138792

Cc1ccc(-c2cccc(C(=O)O)c2)cc1S(=O)(=O)Nc1cccc(N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.46
DNMT3B Q9UBC3 1/20 0.42
NR3C1 P04150 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HCRTR1 O43613 5/20 0.40
SLC16A3 O15427 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.40
IDH1 O75874 2/20 0.39
FABP4 P15090 1/20 0.39
PFKFB3 Q16875 1/20 0.39

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
SCHEMBL18138855 0.94 HCRTR2 (0.46) HCRTR2NR3C1MTNR1AMTNR1BHCRTR1
SCHEMBL18138845 0.91 PFKFB3 (0.51) HCRTR2NR3C1MTNR1AMTNR1BALDH1A1
SCHEMBL20578376 0.90 HCRTR2 (0.46) HCRTR2HCRTR1ALDH1A1MAPT
SCHEMBL18138801 0.88 HCRTR2 (0.45) HCRTR2NR3C1MTNR1AMTNR1BHCRTR1
SCHEMBL18138738 0.87 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL20323622 0.85 HCRTR2 (0.58) HCRTR2HCRTR1
SCHEMBL18138776 0.85 HCRTR2 (0.47) HCRTR2HCRTR1ALDH1A1MAPT
SCHEMBL18300923 0.85 PLAU (0.43) HCRTR2NR3C1MTNR1AMTNR1BPFKFB3
SCHEMBL18138804 0.84 HCRTR2 (0.53) HCRTR2DNMT3BHCRTR1ALDH1A1
SCHEMBL18138794 0.83 HCRTR2 (0.45) HCRTR2NR3C1MTNR1AMTNR1BHCRTR1

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-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP disclosed