SCHEMBL19299805

SCHEMBL19299805

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)sc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ SDHB P21912 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.31
▸ PTGS2 P35354 3/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ HSD11B1 P28845 2/20 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
SCHEMBL19299835 0.93 LMNA (0.32) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL19299812 0.90 PTGS2 (0.35) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL21948999 0.85 — —
SCHEMBL18072957 0.84 POLB (0.41) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL19299809 0.84 RORC (0.34) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL21948584 0.80 — —
SCHEMBL18819869 0.79 PTGS2 (0.36) MAPTACSS2PTGS2PTGS1
SCHEMBL18173807 0.78 SDHB (0.32) SDHB
SCHEMBL20549754 0.77 TP53 (0.34) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL18072962 0.74 POLB (0.41) KDM4EALDH1A1HPGD

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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