SCHEMBL4752991

SCHEMBL4752991

N#Cc1cc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1-n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
GRM7 Q14831 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL12497104 0.86 GRM7 (0.32) ALDH1A1GRM7
SCHEMBL12611337 0.86 GRM7 (0.32) ALDH1A1GRM7
SCHEMBL536516 0.86 GRM7 (0.32) ALDH1A1GRM7
SCHEMBL3971127 0.86 KDM4E (0.34) ALDH1A1KDM4EGAA
SCHEMBL536594 0.85 GRM7 (0.32) CYP1A2CYP2C9CYP2C19GRM7
SCHEMBL28462210 0.85 GRM7 (0.31) MALT1GRM7
SCHEMBL4753403 0.84 GRM7 (0.33) GRM7
SCHEMBL791754 0.84 GRM7 (0.30) GRM7
SCHEMBL29571808 0.84 GRM7 (0.30) GRM7
SCHEMBL117847 0.84 GRM7 (0.33) GRM7

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
WO-2008150393-A1 3-CYANO-4-TRIAZOLYL PHENYLISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO claimed
WO-2008150393-A1 3-CYANO-4-TRIAZOLYL PHENYLISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO disclosed