SCHEMBL875329

SCHEMBL875329

O=C(NCC=NOCc1ccccc1)c1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 4/20 0.34

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
SCHEMBL875327 1.00 ORAI1 (0.34) ORAI1
SCHEMBL875328 1.00 ORAI1 (0.34) ORAI1
SCHEMBL875424 0.95 ORAI1 (0.34) ORAI1
SCHEMBL875426 0.95 ORAI1 (0.34) ORAI1
SCHEMBL875425 0.95 ORAI1 (0.34) ORAI1
SCHEMBL883513 0.92 PDK2 (0.31) ORAI1
SCHEMBL12503969 0.91 HPGD (0.31) ORAI1
SCHEMBL12503967 0.91 HPGD (0.31) ORAI1
SCHEMBL10072321 0.91 ORAI1 (0.30) ORAI1
SCHEMBL12503968 0.91 HPGD (0.31) ORAI1

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