SCHEMBL29181573

SCHEMBL29181573

CCN(CC)C(=O)c1cc(Cl)cc(Cl)c1N(CC)C(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28451679 0.95 DHODH (0.35) DHODHALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL28451074 0.93 DHODH (0.36) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL24397881 0.92 DHODH (0.35) DHODHALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL28455278 0.92 DHODH (0.35) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL29181576 0.92 DHODH (0.36) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL29181526 0.92 DHODH (0.36) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL29181608 0.91 DHODH (0.36) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL28533592 0.90 DHODH (0.34) DHODHALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL24397868 0.89 DHODH (0.38) DHODHALDH1A1KDM4ECYP3A4MEN1
SCHEMBL28460583 0.89 DHODH (0.38) DHODHALDH1A1MAPTL3MBTL1KDM4E

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 1 patent. 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 disclosed
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