SCHEMBL29181578

SCHEMBL29181578

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ TRPA1 O75762 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AVPR1A P37288 1/20 0.30
▸ AOC3 Q16853 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL29181523 0.93 DHODH (0.36) DHODHTRPA1ALDH1A1TRPV1MALT1
SCHEMBL29181535 0.92 DHODH (0.37) DHODHTRPA1ALDH1A1MALT1MEN1
SCHEMBL29181519 0.92 DHODH (0.37) DHODHTRPA1HSD11B1TRPV1MALT1
Hydrochloric Acid SCHEMBL29181579 0.91 DHODH (0.36) DHODHTRPA1ALDH1A1MALT1MEN1
SCHEMBL29181527 0.89 DHODH (0.38) DHODHTRPA1HSD11B1TRPV1MALT1
SCHEMBL29181541 0.89 DHODH (0.36) DHODHTRPA1ALDH1A1HSD11B1TRPV1
SCHEMBL29181544 0.88 DHODH (0.36) DHODHTRPA1TRPV1MALT1AVPR1A
SCHEMBL29181561 0.87 DHODH (0.35) DHODHTRPA1
SCHEMBL950318 0.86 DHODH (0.36) DHODHTRPA1ALDH1A1MALT1KMT2A
SCHEMBL29181562 0.85 DHODH (0.34) DHODHTRPA1ALDH1A1HSD11B1TRPV1

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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