SCHEMBL1743669

SCHEMBL1743669

CC1(C)CCc2c(cncc2-c2nc(-c3ccc(S(=O)(=O)NCCC(=O)OC(=O)CCNS(=O)(=O)c4ccc(-c5noc(-c6cncc7c6CCC(C)(C)C7)n5)cc4Cl)cc3)no2)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.32
PIK3CB P42338 4/20 0.32
PIK3CG P48736 4/20 0.32
S1PR1 P21453 7/20 0.32
S1PR3 Q99500 5/20 0.32
HDAC4 P56524 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MTOR P42345 1/20 0.31
GLP1R P43220 1/20 0.31
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL1743666 0.93 S1PR1 (0.35) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1337962 0.90 S1PR1 (0.32) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1338485 0.90 S1PR1 (0.37) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1742465 0.87 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL1338064 0.87 HDAC4 (0.36) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1337433 0.85 S1PR1 (0.38) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1742464 0.80 S1PR1 (0.37) S1PR1S1PR3TSHR
SCHEMBL13263464 0.76 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL1337404 0.74 S1PR1 (0.37) PIK3CDPIK3CBPIK3CGS1PR1S1PR3
SCHEMBL1337394 0.74 S1PR1 (0.42) S1PR1S1PR3HTTSMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP claimed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US claimed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO claimed