SCHEMBL30708902

SCHEMBL30708902

COc1ccc(Cl)c(-c2cn(C)c(=O)c(Br)c2-c2ccc(F)cc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
BRD4 O60885 5/20 0.36
GSK3B P49841 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
PRKCA P17252 1/20 0.35
HSD11B1 P28845 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
CRHR1 P34998 1/20 0.34
P2RX7 Q99572 1/20 0.34
LCK P06239 1/20 0.33
SCD O00767 1/20 0.33
CREBBP Q92793 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL29936244 0.89 MAPK14 (0.39) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL27094647 0.88 PDE2A (0.40) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL29935986 0.81 MAPK14 (0.40) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL27093101 0.80 PDE2A (0.39) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL29936083 0.76 MAPK14 (0.40) MAPK14BRD4GSK3BBRD2BRD3
SCHEMBL29936288 0.75 MAPK14 (0.37) MAPK14BRD4GSK3BPRKCAAKR1A1
SCHEMBL29935906 0.74 MAPK14 (0.39) MAPK14BRD4BRD2HSD11B1P2RX7
SCHEMBL29936492 0.74 BRD4 (0.40) MAPK14BRD4GSK3BBRD2BRD3
SCHEMBL23754990 0.74 PDE10A (0.39) MAPK14PDE2APDE10AHSD11B1AKR1A1
SCHEMBL29872399 0.74 PDE10A (0.39) MAPK14PDE2APDE10AHSD11B1AKR1A1

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-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN claimed
CN-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN disclosed