SCHEMBL29360421

SCHEMBL29360421

CO/C=C(/C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2F)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAP4K4 O95819 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
GCK P35557 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CXCL8 P10145 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL2852235 1.00 RAF1 (0.37) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2852231 1.00 RAF1 (0.37) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL29362167 0.93 CHRM4 (0.36) CHRM4KMT2AMEN1GCKFFAR4
SCHEMBL2849778 0.93 CHRM4 (0.36) CHRM4KMT2AMEN1GCKFFAR4
SCHEMBL2849774 0.93 CHRM4 (0.36) CHRM4KMT2AMEN1GCKFFAR4
SCHEMBL29359104 0.90 MAPK8 (0.39) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL203515 0.90 MAPK8 (0.39) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8958973 0.90 MAPK8 (0.39) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2852233 0.89 MRGPRX1 (0.40) RAF1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2857202 0.88 SMN1; SMN2 (0.42) RAF1KMT2AMEN1MAP4K4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108430980-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-09-02 CN disclosed
CN-109071520-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-06-14 CN disclosed
CN-111050558-B Microbicidal quinoline (thio) carboxamide derivatives 先正达参股股份有限公司 2022-05-27 CN disclosed
CN-111093372-B Microbicidal quinoline (thio) carboxamide derivatives 先正达参股股份有限公司 2022-05-27 CN disclosed
CN-108137517-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-04-12 CN disclosed
CN-109071522-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-04-12 CN disclosed
CN-108779109-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-03-11 CN disclosed
CN-108137570-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-01-28 CN disclosed