SCHEMBL29181523

SCHEMBL29181523

CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)c1c(Br)cc(Br)cc1C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ TRPA1 O75762 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MALT1 Q9UDY8 3/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29181578 0.93 DHODH (0.37) DHODHTRPA1ALDH1A1MALT1TRPV1
SCHEMBL950318 0.93 DHODH (0.36) DHODHTRPA1ALDH1A1MALT1KMT2A
SCHEMBL29181544 0.93 DHODH (0.36) DHODHTRPA1MALT1TRPV1
Hydrochloric Acid SCHEMBL29181525 0.92 DHODH (0.36) DHODHTRPA1ALDH1A1MALT1KMT2A
SCHEMBL29181552 0.89 DHODH (0.37) DHODHTRPA1MALT1
SCHEMBL29181509 0.88 DHODH (0.35) DHODHTRPA1ALDH1A1MEN1KMT2A
SCHEMBL12911709 0.88 DHODH (0.37) DHODHMALT1
SCHEMBL29181519 0.88 DHODH (0.37) DHODHTRPA1MALT1TRPV1
SCHEMBL29181585 0.87 DHODH (0.34) DHODH
SCHEMBL13318578 0.86 DHODH (0.38) DHODHALDH1A1MALT1

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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