SCHEMBL29181580

SCHEMBL29181580

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.34
▸ S1PR1 P21453 1/20 0.32
▸ 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
SCHEMBL29181591 0.95 DHODH (0.34) DHODHS1PR1TRPA1
SCHEMBL29181545 0.95 DHODH (0.34) DHODHTRPA1
SCHEMBL29181534 0.93 DHODH (0.34) DHODHS1PR1TRPA1
SCHEMBL29181537 0.93 DHODH (0.34) DHODHS1PR1
Hydrochloric Acid SCHEMBL29181582 0.93 DHODH (0.33) DHODHS1PR1TRPA1
SCHEMBL29181528 0.91 DHODH (0.35) DHODHTRPA1
SCHEMBL29181521 0.90 DHODH (0.34) DHODHS1PR1
SCHEMBL29181575 0.90 DHODH (0.35) DHODHTRPA1
SCHEMBL29181585 0.88 DHODH (0.34) DHODH
SCHEMBL29181563 0.88 DHODH (0.34) DHODHTRPA1

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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