SCHEMBL29181583

SCHEMBL29181583

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ MYC P01106 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ MALT1 Q9UDY8 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL29181553 0.99 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181596 0.94 DHODH (0.38) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181529 0.93 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181516 0.93 DHODH (0.37) DHODHMYCKMT2ATRPA1MALT1
SCHEMBL29181552 0.93 DHODH (0.37) DHODHTRPA1MALT1
Hydrochloric Acid SCHEMBL29181536 0.92 DHODH (0.37) DHODHMYCKMT2ATRPA1
SCHEMBL950318 0.89 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181548 0.88 DHODH (0.38) DHODHMYCKMT2ATRPA1MALT1
Hydrochloric Acid SCHEMBL29181525 0.88 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181557 0.87 DHODH (0.37) DHODHMYCKMT2ATRPA1MALT1

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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