SCHEMBL29907415

SCHEMBL29907415

COc1ncc(Br)c(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
CASP1 P29466 1/20 0.35
PDCD1 Q15116 6/20 0.35
CD274 Q9NZQ7 6/20 0.35
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
S100A9 P06702 2/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CCR4 P51679 3/20 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
SCHEMBL28929198 1.00 MAPT (0.35) MAPTCASP1PDCD1CD274AURKA
SCHEMBL790816 0.78 MAPT (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL20702438 0.77 MAPT (0.35) MAPTCASP1PDCD1CD274AURKA
SCHEMBL675995 0.77 PDCD1 (0.32) PDCD1CD274S100A9CCR4
SCHEMBL14853026 0.76 MAPT (0.39) MAPTCASP1AURKATTKAURKB
SCHEMBL20155268 0.74 MAPT (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL16475152 0.74 ALOX5AP (0.37) MAPTCASP1AURKATTKAURKB
SCHEMBL28349377 0.74 PDCD1 (0.33) MAPTCASP1PDCD1CD274S100A9
SCHEMBL28929196 0.74 POLB (0.40) CASP1PDCD1CD274NPSR1S100A9
SCHEMBL17437073 0.73 MAPT (0.35) MAPTCASP1AURKATTKAURKB

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
CN-108463460-B Microbiocidal oxadiazole derivatives 先正达参股股份有限公司 2022-10-28 CN disclosed