SCHEMBL29181556

SCHEMBL29181556

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ TRPA1 O75762 4/20 0.33
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AVPR1A P37288 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ MALT1 Q9UDY8 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RBP4 P02753 1/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL29181533 0.94 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181527 0.93 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181548 0.93 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL29181557 0.92 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181519 0.89 DHODH (0.37) DHODHTRPA1AVPR1AHSD11B1MALT1
SCHEMBL29181552 0.88 DHODH (0.37) DHODHTRPA1HSD11B1MALT1
SCHEMBL29181526 0.87 DHODH (0.36) DHODHTRPA1KDM4ENPSR1AVPR1A
SCHEMBL29181516 0.86 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL29181536 0.85 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181596 0.85 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT

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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