SCHEMBL29774758

SCHEMBL29774758

COC(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SLC6A15 Q9H2J7 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL21796215 1.00 MAPT (0.32) MAPTKCNN4CYP11B2SLC6A15SMN1; SMN2
SCHEMBL19877212 0.92 MAPT (0.37) MAPTKCNN4CYP11B2SLC6A15SMN1; SMN2
SCHEMBL21796209 0.85 DDR1 (0.31) MAPTSLC6A15
SCHEMBL21796207 0.85 SLC6A15 (0.32) SLC6A15ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL18498690 0.81 NOTUM (0.40) MAPTSLC6A15SMN1; SMN2ALDH1A1HPGD
SCHEMBL31141489 0.81 NOTUM (0.40) MAPTSLC6A15SMN1; SMN2ALDH1A1HPGD
SCHEMBL21931660 0.80 — —
SCHEMBL21796227 0.77 — —
SCHEMBL18506249 0.77 DDR1 (0.35) MAPTSLC6A15SMN1; SMN2ALDH1A1HPGD
SCHEMBL18498705 0.77 POLB (0.33) MAPTSLC6A15SMN1; SMN2ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573513-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳公司 2022-08-09 — — CN disclosed
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