SCHEMBL2472576

SCHEMBL2472576

Cc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCNC(=O)CNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.40
S1PR3 Q99500 13/20 0.40
S1PR5 Q9H228 1/20 0.33
SYK P43405 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL2456391 0.93 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL12336631 0.92 S1PR1 (0.40) S1PR1S1PR3S1PR5SYK
SCHEMBL2463328 0.90 S1PR1 (0.43) S1PR1S1PR3S1PR5SYK
SCHEMBL2473753 0.89 S1PR1 (0.41) S1PR1S1PR3S1PR5USP2LMNA
SCHEMBL2456149 0.88 S1PR1 (0.39) S1PR1S1PR3S1PR5SYK
SCHEMBL2470544 0.88 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL2461691 0.88 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL12335823 0.87 S1PR1 (0.39) S1PR1S1PR3S1PR5SYK
SCHEMBL2454957 0.87 S1PR1 (0.38) S1PR1S1PR3S1PR5SYK
SCHEMBL2456727 0.87 S1PR1 (0.40) S1PR1S1PR3S1PR5SYK

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-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP disclosed