SCHEMBL14237237

SCHEMBL14237237

O=C(O)OC1CN(Cc2ccc(-c3noc(-c4cnn(-c5ccccc5)c4Br)n3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.55
S1PR5 Q9H228 13/20 0.55
S1PR4 O95977 11/20 0.55
S1PR3 Q99500 9/20 0.49

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
SCHEMBL14237208 0.90 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237187 0.90 S1PR1 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1334354 0.89 S1PR1 (0.70) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237345 0.87 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1335776 0.86 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237224 0.86 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237168 0.85 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237156 0.85 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237169 0.84 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237218 0.83 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3

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
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP claimed