SCHEMBL29064686

SCHEMBL29064686

COc1ccc([N+](=O)[O-])c(N(Cc2cnc(C)s2)CC2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 19/20 0.40
XDH P47989 1/20 0.34
GSR P00390 1/20 0.34
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL29064660 0.87 TXNRD1 (0.43) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL29064683 0.83 TXNRD1 (0.42) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL29064687 0.82 TXNRD1 (0.39) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL29064663 0.80 TXNRD1 (0.42) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL29371318 0.79 TXNRD1 (0.43) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL16469705 0.79 TXNRD1 (0.43) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL29064670 0.79 TXNRD1 (0.40) TXNRD1XDHGSRMAPTMAPK1
SCHEMBL29064671 0.78 TXNRD1 (0.38) TXNRD1XDHGSRS1PR4MAPT
SCHEMBL16469877 0.77 TXNRD1 (0.41) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL29878520 0.77 TXNRD1 (0.43) TXNRD1XDHGSRS1PR4MAPT

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