SCHEMBL536640

SCHEMBL536640

Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C=O)cc3)no2)cc1C(F)(F)F.Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 3/20 0.51

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
SCHEMBL320159 0.92 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL321229 0.92 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL320065 0.85 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL319696 0.84 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL14916990 0.84 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL10208209 0.83 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL16705110 0.83 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL27922398 0.83 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL14926463 0.82 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL408562 0.81 S1PR1 (0.65) S1PR1S1PR3

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed