SCHEMBL29181519

SCHEMBL29181519

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ TRPA1 O75762 4/20 0.34
▸ AVPR1A P37288 1/20 0.32
▸ MALT1 Q9UDY8 3/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL29181544 0.93 DHODH (0.36) DHODHTRPA1AVPR1AMALT1GPBAR1
SCHEMBL29181578 0.92 DHODH (0.37) DHODHTRPA1AVPR1AMALT1TRPV1
SCHEMBL24397797 0.92 DHODH (0.37) DHODHTRPA1AVPR1AMALT1RBP4
SCHEMBL29181560 0.92 DHODH (0.37) DHODHTRPA1AVPR1AMALT1RBP4
SCHEMBL29129837 0.91 DHODH (0.36) DHODHTRPA1AVPR1AMALT1RBP4
SCHEMBL28457040 0.90 DHODH (0.36) DHODHTRPA1AVPR1AMALT1RBP4
SCHEMBL24397959 0.90 DHODH (0.39) DHODHMALT1RBP4TRPV1
SCHEMBL24397881 0.89 DHODH (0.35) DHODHCNR2
SCHEMBL28451016 0.89 DHODH (0.35) DHODHTRPA1AVPR1A
SCHEMBL28455371 0.89 DHODH (0.35) DHODHTRPA1AVPR1A

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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