SCHEMBL29181596

SCHEMBL29181596

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.38
▸ MYC P01106 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ MALT1 Q9UDY8 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL29181529 0.99 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181583 0.94 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181553 0.93 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181548 0.93 DHODH (0.38) DHODHMYCKMT2ATRPA1MALT1
SCHEMBL29181527 0.93 DHODH (0.38) DHODHTRPA1MALT1KDM4EPOLB
Hydrochloric Acid SCHEMBL29181557 0.92 DHODH (0.37) DHODHMYCKMT2ATRPA1MALT1
SCHEMBL29181535 0.89 DHODH (0.37) DHODHMYCKMT2ATRPA1SORT1
SCHEMBL29181516 0.88 DHODH (0.37) DHODHMYCKMT2ATRPA1MALT1
Hydrochloric Acid SCHEMBL29181579 0.88 DHODH (0.36) DHODHMYCKMT2ATRPA1SORT1
Hydrochloric Acid SCHEMBL29181536 0.87 DHODH (0.37) DHODHMYCKMT2ATRPA1KDM4E

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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