SCHEMBL10989970

SCHEMBL10989970

N#CC(C#N)=CNNc1ccc(Br)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.30
▸ TRPA1 O75762 1/20 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
SCHEMBL10992684 0.87 KMT2A (0.31) GAAKMT2A
SCHEMBL10619032 0.84 TRPA1 (0.35) GAAKMT2ATRPA1
SCHEMBL10990347 0.83 GAA (0.33) GAATRPA1
SCHEMBL10992984 0.80 GAA (0.33) GAATRPA1
SCHEMBL10618418 0.79 KMT2A (0.35) GAAKMT2A
SCHEMBL10987624 0.77 KMT2A (0.33) GAAKMT2ATRPA1
SCHEMBL10991268 0.77 CXCR1 (0.34) GAATRPA1
SCHEMBL10620620 0.76 TRPA1 (0.41) GAAKMT2ATRPA1
SCHEMBL10989684 0.75 KMT2A (0.31) GAAKMT2ATRPA1
SCHEMBL10989450 0.75 KMT2A (0.31) GAAKMT2A

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
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 — — EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 — — US disclosed
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