SCHEMBL29064679

SCHEMBL29064679

COc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(C3CC3)s2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.41
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.35
GSR P00390 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29064670 0.88 TXNRD1 (0.40) TXNRD1MAPTMAPK1SMN1; SMN2XDH
SCHEMBL29064675 0.85 TXNRD1 (0.43) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29064683 0.84 TXNRD1 (0.42) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL16470345 0.84 MAPT (0.42) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL16470427 0.84 TXNRD1 (0.42) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29064666 0.83 TXNRD1 (0.41) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29064668 0.82 TXNRD1 (0.42) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29064662 0.81 TXNRD1 (0.41) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29064671 0.79 TXNRD1 (0.38) TXNRD1MAPTMAPK1XDHGSR
SCHEMBL29203928 0.77 TXNRD1 (0.43) TXNRD1MAPTMAPK1XDHGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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