SCHEMBL29181544

SCHEMBL29181544

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ TRPA1 O75762 4/20 0.33
▸ AVPR1A P37288 1/20 0.32
▸ PSD A5PKW4 1/20 0.32
▸ MALT1 Q9UDY8 5/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL29181519 0.93 DHODH (0.37) DHODHTRPA1AVPR1AMALT1GPBAR1
SCHEMBL29181523 0.93 DHODH (0.36) DHODHTRPA1MALT1TRPV1
SCHEMBL28450734 0.93 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
SCHEMBL29181603 0.93 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
Hydrochloric Acid SCHEMBL29181546 0.92 DHODH (0.36) DHODHTRPA1AVPR1APSDMALT1
SCHEMBL28459476 0.90 DHODH (0.38) DHODHPSDMALT1RBP4TRPV1
SCHEMBL28450690 0.90 DHODH (0.35) DHODHTRPA1MALT1GPBAR1TRPV1
SCHEMBL28456794 0.89 DHODH (0.35) DHODHAVPR1APSD
SCHEMBL28454564 0.89 DHODH (0.35) DHODHAVPR1APSD
SCHEMBL28461029 0.89 DHODH (0.35) DHODH

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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