SCHEMBL10080419

SCHEMBL10080419

N=CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.31
CYP1A2 P05177 2/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL871534 0.92 HPGD (0.31) HPGDCYP1A2ITGB1ITGA4POLB
SCHEMBL21863652 0.92 HPGD (0.31) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL21863657 0.91
SCHEMBL10072318 0.90 ORAI1 (0.31) HPGDCYP1A2
SCHEMBL870701 0.88 KMT2A (0.35)
SCHEMBL10072316 0.87 PDK2 (0.31)
SCHEMBL871329 0.87 CA1 (0.31) ITGB1ITGA4
SCHEMBL871098 0.87 P2RX7 (0.30)
SCHEMBL10072337 0.87 ORAI1 (0.30)
SCHEMBL21253143 0.87 MEN1 (0.35) ITGB1ITGA4

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-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 EP disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed