SCHEMBL28455092

SCHEMBL28455092

CNc1c(Br)cc(Cl)cc1C(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNA3 P22001 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL29606233 0.84 ALDH1A1 (0.48) ALDH1A1HTTHPGDMAPK1MEN1
SCHEMBL28451506 0.84 ALDH1A1 (0.48) ALDH1A1HTTHPGDMAPK1MEN1
SCHEMBL28461022 0.84 KMT2A (0.42) ALDH1A1KMT2AMAOAMAOBKDM4E
SCHEMBL30784313 0.80 ALOX5 (0.45) ALDH1A1HTTHPGDMAPK1MEN1
SCHEMBL28451150 0.79 LMNA (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL28447635 0.77 L3MBTL1 (0.51) ALDH1A1HPGDKMT2AKCNA3RECQL
SCHEMBL28451133 0.77 ALDH1A1 (0.46) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL28460679 0.77 FLT1 (0.33) ALDH1A1HPGDMAPK1MAOAMAOB
SCHEMBL29606565 0.75 ALDH1A1 (0.45) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL28447632 0.74 CA12 (0.49) ALDH1A1HTTHPGDRECQLALOX15

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 10 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 claimed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 — — CN claimed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 — — CN claimed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 — — CN claimed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 — — CN claimed
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-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 — — CN disclosed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 — — CN disclosed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 — — CN disclosed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 — — CN disclosed
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