SCHEMBL29019794

SCHEMBL29019794

Cc1cc(Cl)cc(C(=O)N(C)C)c1N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.40
▸ MALT1 Q9UDY8 4/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL24397797 0.93 DHODH (0.37) DHODHMALT1CNR2ALDH1A1AVPR1A
SCHEMBL28450734 0.93 DHODH (0.36) DHODHMALT1CNR2ALDH1A1AVPR1A
SCHEMBL28455295 0.92 DHODH (0.38) DHODHMALT1CNR2TRPV1AVPR1A
SCHEMBL28460686 0.91 DHODH (0.38) DHODHMALT1TRPV1AVPR1A
SCHEMBL28455051 0.90 DHODH (0.42) DHODHMALT1TRPV1
SCHEMBL28455369 0.89 DHODH (0.37) DHODHMALT1CNR2CNR1
SCHEMBL14495164 0.88 DHODH (0.38) DHODHMALT1TRPA1
SCHEMBL28460689 0.88 DHODH (0.40) DHODHMALT1CNR2ALDH1A1CNR1
SCHEMBL28458430 0.88 DHODH (0.40) DHODHMALT1
SCHEMBL29181519 0.86 DHODH (0.37) DHODHMALT1CNR2TRPV1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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