SCHEMBL29181535

SCHEMBL29181535

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.37
▸ MYC P01106 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MALT1 Q9UDY8 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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 SCHEMBL29181579 0.99 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL950318 0.93 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181525 0.93 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181560 0.92 DHODH (0.37) DHODHMYCKMT2ATRPA1CNR1
SCHEMBL29181578 0.92 DHODH (0.37) DHODHKMT2ATRPA1ALDH1A1CNR1
SCHEMBL29181596 0.89 DHODH (0.38) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181524 0.89 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181543 0.88 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181529 0.88 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181603 0.88 DHODH (0.36) DHODHMYCKMT2ATRPA1LMNA

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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