SCHEMBL9251439

SCHEMBL9251439

CCn1ncnc1C(O)CCP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.32
ENPEP Q07075 1/20 0.31
S1PR3 Q99500 7/20 0.30
S1PR2 O95136 6/20 0.30
S1PR4 O95977 5/20 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
SCHEMBL9251435 0.77 FDPS (0.32)
SCHEMBL9541848 0.71 S1PR2 (0.33) S1PR1S1PR3S1PR2S1PR4
SCHEMBL20907648 0.67 AOC3 (0.32)
SCHEMBL9165723 0.63 ENPEP (0.34) ENPEP
SCHEMBL9251226 0.61 FDPS (0.31)
SCHEMBL8387758 0.60 ENPEP (0.35) S1PR1ENPEP
SCHEMBL601975 0.60
SCHEMBL11660658 0.55 ALDH1A1 (0.48) S1PR1ENPEPS1PR3S1PR2S1PR4
SCHEMBL701768 0.54
SCHEMBL1396820 0.54 ENPEP (0.46) S1PR1ENPEPS1PR3S1PR2S1PR4

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-0636135-A1 TRIAZOLE COMPOUNDS Japat Ltd (CH) 1995-02-01 EP disclosed
WO-1992019629-A1 TRIAZOLE COMPOUNDS JAPAT LTD. (CH) 1992-11-12 WO disclosed