SCHEMBL29181516

SCHEMBL29181516

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ TRPA1 O75762 2/20 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
▸ MYC P01106 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ PSD A5PKW4 1/20 0.31
▸ MALT1 Q9UDY8 3/20 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
Hydrochloric Acid SCHEMBL29181536 0.99 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181548 0.94 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181533 0.93 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL29181557 0.93 DHODH (0.37) DHODHTRPA1POLBKDM4EMAPT
SCHEMBL29181583 0.93 DHODH (0.37) DHODHTRPA1MYCKMT2AMALT1
Hydrochloric Acid SCHEMBL29181553 0.92 DHODH (0.37) DHODHTRPA1MYCKMT2A
SCHEMBL29181603 0.89 DHODH (0.36) DHODHTRPA1KDM4EMYCKMT2A
Hydrochloric Acid SCHEMBL29181546 0.88 DHODH (0.36) DHODHTRPA1KDM4EMYCKMT2A
SCHEMBL29181596 0.88 DHODH (0.38) DHODHTRPA1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL29181529 0.87 DHODH (0.37) DHODHTRPA1MYCKMT2AMALT1

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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