SCHEMBL9545465

SCHEMBL9545465

CS(=O)(=O)Oc1cccc([S+]([O-])CCCC#N)n1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.30

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
SCHEMBL10745063 0.82 DRD2 (0.32)
SCHEMBL9545460 0.79 TP53 (0.31)
SCHEMBL9545447 0.76
SCHEMBL9545468 0.73 ALDH1A1 (0.35) LTB4R
SCHEMBL9865880 0.73 HTR1D (0.31)
SCHEMBL9545437 0.72 NPC1 (0.34) LTB4R
SCHEMBL10744948 0.68 HCAR1 (0.31)
SCHEMBL9865854 0.68 HCAR1 (0.39)
SCHEMBL7038679 0.62 CCR1 (0.41)
SCHEMBL10461699 0.61 PTGS2 (0.43)

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-1993021150-A2 ARTHROPODICIDAL ARYL SULFONATES DUNLENA PTY. LTD. (AU) 1993-10-28 WO disclosed