SCHEMBL25083052

SCHEMBL25083052

CC(C)n1ncc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KIF11 P52732 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
PTGS2 P35354 2/20 0.37
KCNH2 Q12809 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
TRPV3 Q8NET8 2/20 0.36

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
SCHEMBL27255898 0.78 EP300 (0.44) KIF11KDM4EALDH1A1LMNACYP1A2
SCHEMBL13509095 0.75 TDP1 (0.43) KDM4EALDH1A1LMNAHPGDNFKB1
SCHEMBL13863837 0.71 ALDH1A1 (0.55) HTR2AHTR2CHTR2BKIF11ALDH1A1
SCHEMBL29078271 0.70 CTSS (0.39) PDE2AKIF11KDM4EALDH1A1LMNA
SCHEMBL24949783 0.70 TOP2A (0.36)
SCHEMBL29009112 0.68 CXCR2 (0.47) KIF11LMNAEPHB4TEK
SCHEMBL12377265 0.68 PTGS2 (0.49) PDE2APTGS2EPHB4TEK
SCHEMBL14557164 0.67 ALDH1A1 (0.46) KIF11KDM4EALDH1A1LMNACYP1A2
SCHEMBL2629316 0.67 KEAP1 (0.58) KIF11F2RL3PTGS2KCNH2EPHB4
SCHEMBL4089672 0.66 TRPV3 (0.43) PDE2AHTR2AHTR2CHTR2BPTGS2

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-4197333-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR Syngenta Crop Protection AG (CH) 2023-06-21 EP disclosed
WO-2023021020-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2023-02-23 WO disclosed