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SCHEMBL2472248

SCHEMBL2472248

CCn1nc(-c2nc(-c3cc(C)c(CCC(N)=O)c(C)c3)no2)c2c1CC(C)(C)CC2.CCn1nc(-c2nc(-c3ccc(CC(N)=O)cc3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.38
▸ S1PR3 Q99500 14/20 0.38
▸ S1PR5 Q9H228 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 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
SCHEMBL2470363 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5TP53RAB9A
SCHEMBL2473902 0.91 S1PR1 (0.36) S1PR1S1PR3S1PR5TP53RAB9A
SCHEMBL2474523 0.89 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2460745 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL2456100 0.85 S1PR1 (0.42) S1PR1S1PR3S1PR5
SCHEMBL2473926 0.84 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL2473914 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5TP53RAB9A
SCHEMBL2459784 0.83 S1PR1 (0.44) S1PR1S1PR3S1PR5
SCHEMBL2456198 0.83 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2459813 0.83 S1PR1 (0.37) S1PR1S1PR3S1PR5MAPT

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-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 — — EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 — — WO disclosed