SCHEMBL10991268

SCHEMBL10991268

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL10619032 0.86 TRPA1 (0.35) GAATRPA1ALDH1A1MAPK1
SCHEMBL10989450 0.85 KMT2A (0.31) GAA
SCHEMBL10987624 0.82 KMT2A (0.33) GAATRPA1ALDH1A1MAPK1
SCHEMBL10990347 0.82 GAA (0.33) GAATRPA1ALDH1A1MAPK1
SCHEMBL10989651 0.79 KMT2A (0.33) GAATRPA1ALDH1A1MAPK1
SCHEMBL10992984 0.79 GAA (0.33) GAATRPA1ALDH1A1MAPK1
SCHEMBL10620620 0.78 TRPA1 (0.41) GAATRPA1ALDH1A1MAPK1
SCHEMBL10989970 0.77 GAA (0.33) GAATRPA1
SCHEMBL10618418 0.75 KMT2A (0.35) GAA
SCHEMBL6213922 0.74 MAPK1 (0.49) GAATRPA1ALDH1A1MAPK1

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 3 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
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 — — EP disclosed
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