SCHEMBL29181575

SCHEMBL29181575

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.35
▸ TRPA1 O75762 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NOD2 Q9HC29 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
SCHEMBL29181591 0.95 DHODH (0.34) DHODHTRPA1KDM4EMEN1ALDH1A1
SCHEMBL29181545 0.95 DHODH (0.34) DHODHTRPA1
SCHEMBL29181561 0.93 DHODH (0.35) DHODHTRPA1
SCHEMBL29181558 0.93 DHODH (0.35) DHODHTRPA1KDM4EMEN1ALDH1A1
SCHEMBL29181526 0.93 DHODH (0.36) DHODHTRPA1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL29181577 0.92 DHODH (0.35) DHODHTRPA1KDM4EMEN1ALDH1A1
SCHEMBL28447668 0.92 DHODH (0.35) DHODHKDM4EMEN1ALDH1A1LMNA
SCHEMBL28456835 0.91 DHODH (0.34) DHODHKDM4EMEN1ALDH1A1LMNA
SCHEMBL29181580 0.90 DHODH (0.34) DHODHTRPA1
SCHEMBL29181585 0.90 DHODH (0.34) DHODHLMNA

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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