SCHEMBL29181527

SCHEMBL29181527

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ TRPA1 O75762 4/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ MALT1 Q9UDY8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29181552 0.94 DHODH (0.37) DHODHTRPA1HSD11B1MALT1
SCHEMBL29181596 0.93 DHODH (0.38) DHODHTRPA1MALT1KDM4EPOLB
SCHEMBL29181556 0.93 DHODH (0.38) DHODHTRPA1HSD11B1TRPV1MALT1
Hydrochloric Acid SCHEMBL29181529 0.92 DHODH (0.37) DHODHTRPA1MALT1
SCHEMBL29181578 0.89 DHODH (0.37) DHODHTRPA1HSD11B1TRPV1MALT1
SCHEMBL29181533 0.88 DHODH (0.37) DHODHTRPA1HSD11B1MALT1KDM4E
SCHEMBL29181541 0.87 DHODH (0.36) DHODHTRPA1HSD11B1TRPV1MALT1
SCHEMBL29181583 0.86 DHODH (0.37) DHODHTRPA1MALT1
Hydrochloric Acid SCHEMBL29181553 0.85 DHODH (0.37) DHODHTRPA1
SCHEMBL29181548 0.85 DHODH (0.38) DHODHTRPA1MALT1KDM4EPOLB

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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