SCHEMBL875447

SCHEMBL875447

CC(C)O/N=C/CNC(=O)c1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.31
ITGA4 P13612 3/20 0.31
PDK2 Q15119 1/20 0.30
ORAI1 Q96D31 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
SCHEMBL875446 1.00 ITGB1 (0.31) ITGB1ITGA4PDK2ORAI1
SCHEMBL875448 1.00 ITGB1 (0.31) ITGB1ITGA4PDK2ORAI1
SCHEMBL10072315 0.95 ITGB1 (0.31) ITGB1ITGA4
SCHEMBL21863600 0.95 ITGB1 (0.31) ITGB1ITGA4
SCHEMBL876045 0.92 PDK2 (0.33) PDK2ORAI1
SCHEMBL876047 0.92 PDK2 (0.33) PDK2ORAI1
SCHEMBL876046 0.92 PDK2 (0.33) PDK2ORAI1
SCHEMBL875192 0.91
SCHEMBL875191 0.91
SCHEMBL875190 0.91

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