SCHEMBL28384192

SCHEMBL28384192

N#CC(C(N)=O)=C(S)S.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.37
TP53 P04637 2/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
MAPT P10636 2/20 0.33
GABRB2 P47870 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 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
SCHEMBL1936955 1.00 MAPK10 (0.37) MAPK10TP53GABRA1GABRG2GABRB3
Water SCHEMBL261457 1.00 MAPK10 (0.37) MAPK10TP53GABRA1GABRG2GABRB3
SCHEMBL3192138 0.97
Water SCHEMBL597798 0.97 MAPK10 (0.38) MAPK10TP53GABRA1GABRG2GABRB3
SCHEMBL8402032 0.79
SCHEMBL8537626 0.79
SCHEMBL12130697 0.72
SCHEMBL3141732 0.72 MAPK10 (0.39) MAPK10TP53GABRA1GABRG2GABRB3
SCHEMBL11006695 0.72
SCHEMBL27708404 0.72 MAPK10 (0.44) MAPK10TP53GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032669-B Orthoester compositions for affinity purification of oligonucleotides 安捷伦科技有限公司 2024-03-29 CN disclosed
CN-111032669-A Ortho ester compositions for affinity purification of oligonucleotides 安捷伦科技有限公司 2020-04-17 CN disclosed