SCHEMBL30385229

SCHEMBL30385229

O=C(Nc1cc(Cl)ccc1-c1ccccc1)c1cccnc1Cl

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.73
▸ IRAK4 Q9NWZ3 5/20 0.63
▸ GAA P10253 2/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPT P10636 2/20 0.49
▸ FABP4 P15090 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDR P35968 1/20 0.48

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
SCHEMBL458748 1.00 TDP1 (0.73) TDP1IRAK4GAAMEN1KMT2A
SCHEMBL28385052 0.89 IRAK4 (0.62) TDP1IRAK4MEN1KMT2AALDH1A1
SCHEMBL8074225 0.87 TDP1 (0.85) TDP1IRAK4GAAMEN1KMT2A
Boscalid SCHEMBL22444559 0.86 TDP1 (0.93) TDP1IRAK4GAARXFP1KDM4E
SCHEMBL15843974 0.85 TDP1 (0.60) TDP1IRAK4GAAMEN1KMT2A
Boscalid SCHEMBL29488452 0.85 TDP1 (1.00) TDP1IRAK4GAAMEN1KMT2A
Boscalid SCHEMBL29368300 0.85 TDP1 (1.00) TDP1IRAK4GAAMEN1KMT2A
Boscalid SCHEMBL18517 0.85 TDP1 (1.00) TDP1IRAK4GAAMEN1KMT2A
SCHEMBL28002383 0.84 TDP1 (0.58) TDP1IRAK4GAAKMT2ARXFP1
Boscalid SCHEMBL3619333 0.84 TDP1 (0.97) TDP1IRAK4GAAMEN1KMT2A

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-116784327-A Bactericide composition containing SDHI bactericides 华南理工大学 2023-09-22 — — CN disclosed
CN-116261952-A Suspending agent containing boscalid and cyprodinil and preparation method thereof 山东润博生物科技有限公司 2023-06-16 — — CN disclosed
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