Sugi Predict

Sugi Predict / Compounds / SCHEMBL9055818

SCHEMBL9055818

SCHEMBL9055818

C[C@@H]1CCN(C(=O)[C@H](CCCNc2ncc[nH]2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)[C@@H](C(=O)NCC(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 15/20 0.46
▸ F2 P00734 3/20 0.42

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
SCHEMBL9057743 0.92 CCR10 (0.44) CCR10F2
SCHEMBL9055134 0.90 CCR10 (0.47) CCR10F2
SCHEMBL9061723 0.88 CCR10 (0.51) CCR10F2
SCHEMBL9054377 0.86 CCR10 (0.48) CCR10F2
SCHEMBL9055835 0.85 CCR10 (0.47) CCR10F2
SCHEMBL9054883 0.85 CCR10 (0.52) CCR10F2
SCHEMBL9054950 0.84 F2 (0.44) F2
SCHEMBL9055184 0.84 CCR10 (0.47) CCR10F2
SCHEMBL9061843 0.84 CCR10 (0.65) CCR10F2
SCHEMBL9055836 0.83 CCR10 (0.45) CCR10

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 — — WO disclosed