SCHEMBL9543140

SCHEMBL9543140

CS(=O)(=O)C(CCP(=O)(O)O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL8387698 0.85 KDM4E (0.30)
SCHEMBL9360437 0.82 S1PR2 (0.35) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9542022 0.81 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9540529 0.81 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9540514 0.81 S1PR2 (0.33) S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL9543150 0.80
SCHEMBL9543144 0.79
SCHEMBL8387700 0.79
SCHEMBL9356540 0.78 S1PR2 (0.31) S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL8387704 0.76

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-1993015610-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1993-08-19 WO disclosed