SCHEMBL29019791

SCHEMBL29019791

CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)c1c(Br)cc(Cl)cc1C(=O)O.NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ MALT1 Q9UDY8 12/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL29019780 0.94 KMT2A (0.35) KMT2ADHODHMALT1HRH1CCR3
SCHEMBL29181603 0.94 DHODH (0.36) KMT2ADHODHMALT1TRPA1
Hydrochloric Acid SCHEMBL29181546 0.93 DHODH (0.36) KMT2ADHODHMALT1TRPA1
SCHEMBL29181560 0.88 DHODH (0.37) KMT2ADHODHMALT1TRPA1
SCHEMBL28454560 0.87 HPGD (0.36) DHODHMALT1
SCHEMBL29181544 0.87 DHODH (0.36) DHODHMALT1TRPA1TRPV1
SCHEMBL950318 0.87 DHODH (0.36) KMT2ADHODHMALT1TRPA1
SCHEMBL28450734 0.87 DHODH (0.36) DHODHMALT1TRPA1
SCHEMBL12528597 0.86 DHODH (0.38) KMT2ADHODHMALT1TRPA1
Hydrochloric Acid SCHEMBL29181525 0.86 DHODH (0.36) KMT2ADHODHMALT1TRPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 — — 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 claimed
CN-116264894-A Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2023-06-20 — — CN claimed
CN-116264894-B Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2024-07-09 — — CN disclosed
CN-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 — — CN disclosed
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
CN-116264894-A Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2023-06-20 — — CN disclosed
Send feedback