SCHEMBL19299802

SCHEMBL19299802

CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)sc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 4/20 0.35
▸ PPARG P37231 3/20 0.35
▸ NCOA2 Q15596 3/20 0.35
▸ NCOA1 Q15788 3/20 0.35
▸ NCOA3 Q9Y6Q9 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.30
▸ HASPIN Q8TF76 1/20 0.30
▸ MAPT P10636 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
SCHEMBL18072955 0.89 POLB (0.45) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL18050240 0.89 POLB (0.45) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19299826 0.87 POLB (0.43) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19711949 0.87 POLB (0.45) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL18050287 0.86 POLB (0.43) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19283517 0.85 POLB (0.43) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19299798 0.83 POLB (0.40) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19299803 0.83 POLB (0.43) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL19299824 0.83 POLB (0.43) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL20424069 0.82 POLB (0.44) POLBPDE10AHASPIN

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
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 — — WO disclosed
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