SCHEMBL29919696

SCHEMBL29919696

Cc1cccc2cc(C3=NC(C)(C)C(C)(C)c4c(F)cccc43)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MBNL1 Q9NR56 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NPC1 O15118 1/20 0.33
GRIN2B Q13224 3/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
PARP1 P09874 2/20 0.32
ABL1 P00519 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 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
SCHEMBL4416025 1.00 MGAM (0.36) MGAMGAASIMGAM2ATM
SCHEMBL29432957 0.92 ABCB1 (0.39) KDM4EMBNL1ABCB1ABCG2NPC1
SCHEMBL4412921 0.92 ABCB1 (0.39) KDM4EMBNL1ABCB1ABCG2NPC1
SCHEMBL4507112 0.85 HPGDS (0.42) NPC1ALOX5APFEN1
SCHEMBL29352004 0.84 AKR1C3 (0.41) MBNL1NPC1
SCHEMBL318061 0.84 AKR1C3 (0.41) MBNL1NPC1
SCHEMBL2914855 0.84 CYP2A6 (0.35) MBNL1NPC1GRIN2BALOX5APFEN1
Hydrochloric Acid SCHEMBL4531372 0.83 AKR1C3 (0.41) MBNL1NPC1
SCHEMBL4507256 0.80 L3MBTL1 (0.39) NPC1
SCHEMBL29919722 0.80 L3MBTL1 (0.39) NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4117436-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA Syngenta Crop Protection AG (CH) 2023-01-18 EP claimed
CN-115297727-A Method for controlling or preventing plant infection by phytopathogen microorganism corynebacterium polyspora 先正达农作物保护股份公司 2022-11-04 CN claimed
EP-4117436-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA Syngenta Crop Protection AG (CH) 2023-01-18 EP disclosed
CN-115297727-A Method for controlling or preventing plant infection by phytopathogen microorganism corynebacterium polyspora 先正达农作物保护股份公司 2022-11-04 CN disclosed