SCHEMBL875585

SCHEMBL875585

CON=CCNC(=O)c1ccc(C2=NOC(c3ccc(F)c(F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL875584 1.00 S1PR3 (0.31) S1PR3CA1CA2
SCHEMBL875583 1.00 S1PR3 (0.31) S1PR3CA1CA2
SCHEMBL10072351 0.94
SCHEMBL883482 0.93 KCNN4 (0.33)
SCHEMBL10072343 0.93 CHRM1 (0.32)
SCHEMBL10072333 0.90
SCHEMBL10072319 0.90 PDK2 (0.32)
SCHEMBL883522 0.90 F2 (0.31)
SCHEMBL883228 0.89 PDK2 (0.30)
SCHEMBL875201 0.89 OPRM1 (0.35)

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-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed