SCHEMBL30196993

SCHEMBL30196993

O=c1cnc2c(F)c(F)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
DAO P14920 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HRH4 Q9H3N8 3/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR2 P25025 1/20 0.32
PARP14 Q460N5 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL709463 1.00 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3EGLN1
SCHEMBL30297094 0.82 MAPKAPK2 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL21530547 0.81 PARP1 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3EGLN1
SCHEMBL30196908 0.81 PARP1 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3EGLN1
SCHEMBL30212575 0.78 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL707250 0.74 EGLN1 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3EGLN1
SCHEMBL16671449 0.70 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL704132 0.70 MAPKAPK2 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL29961305 0.68 LMNA (0.42) ALDH1A1HRH4KDM4ELMNAMEN1
SCHEMBL1171365 0.68 HRH4 (0.44) EGLN1HRH4PTGDR2

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
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN claimed
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN disclosed