SCHEMBL24360915

SCHEMBL24360915

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)sc2cc(C(F)(F)F)sc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 4/20 0.33
▸ PPARG P37231 3/20 0.33
▸ NCOA2 Q15596 3/20 0.33
▸ NCOA1 Q15788 3/20 0.33
▸ NCOA3 Q9Y6Q9 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21948820 0.88 POLB (0.35) POLBSMN1; SMN2
SCHEMBL21949314 0.87 POLB (0.33) POLB
SCHEMBL21948899 0.86 POLB (0.30) POLB
SCHEMBL18072957 0.86 POLB (0.41) POLBALDH1A1HPGDPPARGNCOA2
SCHEMBL18072962 0.86 POLB (0.41) POLBALDH1A1HPGDPPARGNCOA2
SCHEMBL21949003 0.85 POLB (0.42) POLB
SCHEMBL19299798 0.84 POLB (0.40) POLBALDH1A1HPGDPPARGNCOA2
SCHEMBL19712029 0.84 POLB (0.41) POLBALDH1A1HPGDPPARGNCOA2
SCHEMBL21948999 0.83 — —
SCHEMBL19299828 0.83 POLB (0.40) POLBALDH1A1HPGDPPARGNCOA2

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
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
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