SCHEMBL8476604

SCHEMBL8476604

Cc1cc([O])cc(OS(=O)(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.51
HTR6 P50406 1/20 0.44
PGR P06401 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 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
SCHEMBL5672962 0.84 F2 (0.53) F2HTR6PGRTDP1
SCHEMBL8477321 0.83 HTR6 (0.44) F2HTR6PGR
Orcinol SCHEMBL5674545 0.82 F2 (0.51) F2HTR6PGRTDP1
SCHEMBL8479866 0.80 P2RY2 (0.46) F2PGR
SCHEMBL8480467 0.79 F2 (0.48) F2HTR6PGRTDP1
SCHEMBL5674507 0.78 F2 (0.57) F2
SCHEMBL5674462 0.77 F2 (0.56) F2
SCHEMBL8481772 0.77 F2 (0.54) F2HTR6PKM
SCHEMBL30626036 0.77 TDP1 (0.66) PGRTDP1
SCHEMBL196783 0.77 TDP1 (0.66) PGRTDP1

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
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed