SCHEMBL29064665

SCHEMBL29064665

C=CCOc1ccc([N+](=O)[O-])c(N(CC)Cc2cnc(C)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 3/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 2/20 0.31
TXNRD1 Q16881 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
SCHEMBL16470351 0.90 MAPT (0.38) ALDH1A1KDM4EKMT2AMAOAMAPT
SCHEMBL16470379 0.90 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AMAOAMAPT
SCHEMBL29064677 0.88 KDM4E (0.34) ALDH1A1KDM4EKMT2AMAOAL3MBTL1
SCHEMBL29064660 0.87 TXNRD1 (0.43) MAPTMAPK1TXNRD1
SCHEMBL29064682 0.85 ALDH1A1 (0.31) ALDH1A1MAOAMAPTMAPK1L3MBTL1
SCHEMBL29064687 0.82 TXNRD1 (0.39) MAPTMAPK1TXNRD1
SCHEMBL29064672 0.81 TXNRD1 (0.37) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL29064664 0.80 TXNRD1 (0.39) ALDH1A1MAPTMAPK1L3MBTL1TXNRD1
SCHEMBL16470758 0.79 MAOA (0.38) ALDH1A1KDM4EKMT2AMAOAMAPT
SCHEMBL16469751 0.79 MAPT (0.41) ALDH1A1KDM4EKMT2AMAOAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116265460-A Thiazole methyl pyridine amine compound and preparation method and application thereof 湖南化工研究院有限公司 2023-06-20 CN claimed
CN-116265460-B Thiazole methyl pyridine amine compound and preparation method and application thereof 湖南化工研究院有限公司 2025-03-14 CN disclosed
CN-116265460-A Thiazole methyl pyridine amine compound and preparation method and application thereof 湖南化工研究院有限公司 2023-06-20 CN disclosed