SCHEMBL28837118

SCHEMBL28837118

CN1C(C(=O)Cl)=NN(c2ccc(F)cc2)C1C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NR3C2 P08235 5/20 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
SCHEMBL28408483 0.77 PDE5A (0.40) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL27712033 0.61 MAPT (0.38) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL9252390 0.59 CNR1 (0.53) PRKCZPDE5ANR3C2
SCHEMBL28414459 0.57 TP53 (0.46) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL27621420 0.57 MGLL (0.32) HPGD
SCHEMBL27621423 0.57 MGLL (0.35) HPGD
SCHEMBL28970131 0.56 CACNA1B (0.31) —
SCHEMBL29333423 0.55 LMNA (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1569385 0.55 HSD11B1 (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1569383 0.55 HSD11B1 (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-106543139-A A kind of triadimefon compound and application thereof 沈阳中化农药化工研发有限公司 2017-03-29 — — CN disclosed
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