SCHEMBL29064685

SCHEMBL29064685

Cc1ncc(CN(C)c2nc(Cl)ccc2[N+](=O)[O-])s1.O=[N+]([O-])c1ccc(Cl)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.34
MAPT P10636 5/20 0.33
GSR P00390 3/20 0.33
MERTK Q12866 1/20 0.33
PIN1 Q13526 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
FGFR4 P22455 1/20 0.31
RECQL P46063 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
SCHEMBL29064680 0.96 TXNRD1 (0.36) TXNRD1MAPTGSRMERTKKDM4E
SCHEMBL29064671 0.87 TXNRD1 (0.38) TXNRD1MAPTGSRHTT
SCHEMBL16470410 0.86 MAPT (0.44) TXNRD1MAPTGSRMERTKKDM4E
SCHEMBL16470439 0.84 TXNRD1 (0.36) TXNRD1MAPTGSRMERTKPIN1
SCHEMBL29064667 0.83 TXNRD1 (0.41) TXNRD1MAPTKDM4EMEN1LMNA
SCHEMBL29064672 0.82 TXNRD1 (0.37) TXNRD1MAPTGSRMERTKKDM4E
SCHEMBL29064683 0.81 TXNRD1 (0.42) TXNRD1MAPTGSR
SCHEMBL29064677 0.77 KDM4E (0.34) KDM4EKMT2A
SCHEMBL29064684 0.77 TXNRD1 (0.30) TXNRD1
SCHEMBL16470287 0.76 MAPT (0.41) TXNRD1MAPTKDM4EMEN1LMNA

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 1 patent. 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 disclosed