SCHEMBL29181603

SCHEMBL29181603

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ TRPA1 O75762 2/20 0.33
▸ MYC P01106 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ PSD A5PKW4 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ MALT1 Q9UDY8 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RBP4 P02753 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 SCHEMBL29181546 0.99 DHODH (0.36) DHODHTRPA1MYCKMT2AAVPR1A
SCHEMBL29019791 0.94 KMT2A (0.34) DHODHTRPA1KMT2AMALT1
SCHEMBL29181560 0.93 DHODH (0.37) DHODHTRPA1MYCKMT2AAVPR1A
SCHEMBL29181544 0.93 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
SCHEMBL28450734 0.93 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
SCHEMBL950318 0.93 DHODH (0.36) DHODHTRPA1MYCKMT2AMALT1
Hydrochloric Acid SCHEMBL29181525 0.92 DHODH (0.36) DHODHTRPA1MYCKMT2AMALT1
SCHEMBL12528597 0.92 DHODH (0.38) DHODHTRPA1MYCKMT2AMALT1
SCHEMBL28450690 0.90 DHODH (0.35) DHODHTRPA1MALT1
SCHEMBL28459476 0.90 DHODH (0.38) DHODHPSDMALT1RBP4

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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