SCHEMBL9356540

SCHEMBL9356540

CC(=O)SC(CCP(=O)(O)O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8390436 0.87 MAPT (0.34) SMN1; SMN2
SCHEMBL9360437 0.83 S1PR2 (0.35) S1PR2S1PR4S1PR1S1PR3
SCHEMBL27383092 0.82
Diethyl Hydrogen Phosphate SCHEMBL27383093 0.82 MAPT (0.30) SMN1; SMN2
SCHEMBL9356541 0.81
SCHEMBL8390437 0.81 MAPT (0.32)
Phosphonic Acid SCHEMBL9356546 0.81
SCHEMBL9540529 0.80 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9542022 0.80 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9540514 0.79 S1PR2 (0.33) S1PR2S1PR4S1PR1S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625873-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1994-11-30 EP disclosed
WO-1993015610-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1993-08-19 WO disclosed