SCHEMBL29064677

SCHEMBL29064677

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL16469881 0.90 KDM4E (0.32) KDM4EALDH1A1KMT2AL3MBTL1MAOA
SCHEMBL16469760 0.90 KDM4E (0.39) KDM4EALDH1A1KMT2AL3MBTL1MAOA
SCHEMBL29064665 0.88 ALDH1A1 (0.35) KDM4EALDH1A1KMT2AL3MBTL1MAOA
SCHEMBL29064683 0.86 TXNRD1 (0.42)
SCHEMBL29064684 0.84 TXNRD1 (0.30)
SCHEMBL29064671 0.81 TXNRD1 (0.38)
SCHEMBL29064680 0.81 TXNRD1 (0.36) KDM4EKMT2AL3MBTL1
SCHEMBL29064667 0.80 TXNRD1 (0.41) KDM4EKMT2A
SCHEMBL16470351 0.78 MAPT (0.38) KDM4EALDH1A1KMT2AL3MBTL1MAOA
SCHEMBL16470379 0.78 ALDH1A1 (0.33) KDM4EALDH1A1KMT2AL3MBTL1MAOA

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