SCHEMBL29129837

SCHEMBL29129837

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MARS1 P56192 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ MALT1 Q9UDY8 2/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 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
SCHEMBL24397797 0.91 DHODH (0.37) DHODHAVPR1ATRPA1ALDH1A1HPGD
SCHEMBL29181519 0.91 DHODH (0.37) DHODHAVPR1ATRPA1MALT1RBP4
SCHEMBL29181560 0.91 DHODH (0.37) DHODHSMN1; SMN2AVPR1ATRPA1MALT1
SCHEMBL28457040 0.89 DHODH (0.36) DHODHAVPR1ATRPA1MALT1RBP4
SCHEMBL24397959 0.89 DHODH (0.39) DHODHMALT1RBP4
SCHEMBL29181608 0.89 DHODH (0.36) DHODHSMN1; SMN2MARS1AVPR1AALDH1A1
SCHEMBL28455371 0.88 DHODH (0.35) DHODHSMN1; SMN2AVPR1ATRPA1ALDH1A1
SCHEMBL24397881 0.88 DHODH (0.35) DHODHALDH1A1L3MBTL1
SCHEMBL28451016 0.88 DHODH (0.35) DHODHAVPR1ATRPA1L3MBTL1
SCHEMBL29019780 0.88 KMT2A (0.35) DHODHTRPA1MALT1

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-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 — — CN disclosed
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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