SCHEMBL29181533

SCHEMBL29181533

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ TRPA1 O75762 3/20 0.32
▸ 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
▸ PSD A5PKW4 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ MALT1 Q9UDY8 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RBP4 P02753 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
SCHEMBL29181556 0.94 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181552 0.93 DHODH (0.37) DHODHTRPA1HSD11B1MALT1
SCHEMBL29181516 0.93 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL29181536 0.92 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181544 0.89 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
SCHEMBL29181527 0.88 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181528 0.86 DHODH (0.35) DHODHTRPA1KDM4ENPSR1AVPR1A
SCHEMBL29181548 0.86 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181583 0.85 DHODH (0.37) DHODHTRPA1MALT1KMT2A
Hydrochloric Acid SCHEMBL29181557 0.85 DHODH (0.37) 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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