SCHEMBL29181562

SCHEMBL29181562

O=C(Cl)c1cc(Br)cc(Cl)c1N(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.34
▸ MALT1 Q9UDY8 9/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPA1 O75762 4/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ HSD11B1 P28845 1/20 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
SCHEMBL29181584 0.94 DHODH (0.33) DHODHMALT1ALDH1A1TRPA1TRPV1
SCHEMBL29181555 0.93 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1
SCHEMBL29181568 0.93 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1TRPV1
Hydrochloric Acid SCHEMBL29181566 0.92 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1
SCHEMBL29181503 0.89 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1TRPV1
SCHEMBL29181564 0.87 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1
Hydrochloric Acid SCHEMBL29181586 0.86 MALT1 (0.34) DHODHMALT1ALDH1A1TRPA1
SCHEMBL29181542 0.86 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1
SCHEMBL29181578 0.85 DHODH (0.37) DHODHMALT1ALDH1A1TRPA1TRPV1
Hydrochloric Acid SCHEMBL29181571 0.85 MALT1 (0.35) DHODHMALT1ALDH1A1TRPA1

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-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN claimed
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN disclosed
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