SCHEMBL28225779

SCHEMBL28225779

COC(=O)c1cc2ccc(N(C)O[SH](=O)=O)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.41
▸ ALOX15 P16050 4/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ FLT3 P36888 4/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL28225483 0.87 EIF4A3 (0.49) ALOX15MEN1KMT2ARXFP1FLT3
Hydrochloric Acid SCHEMBL28226226 0.86 EIF4A3 (0.48) ALOX15MEN1KMT2ARXFP1FLT3
SCHEMBL28225523 0.86 PLG (0.38) ALOX15MEN1KMT2ARXFP1FLT3
SCHEMBL8985790 0.84 XDH (0.47) XDHALOX15MEN1KMT2ARXFP1
SCHEMBL28053874 0.75 EGFR (0.62) MEN1KMT2ALMNATP53L3MBTL1
SCHEMBL3275257 0.73 FLT3 (0.59) XDHALOX15MEN1KMT2AFLT3
SCHEMBL29919471 0.73 FLT3 (0.59) XDHALOX15MEN1KMT2AFLT3
SCHEMBL6421763 0.73 KIF11 (0.53) XDHALOX15FLT3PDGFRBPDGFRA
SCHEMBL2815266 0.73 FLT3 (0.56) XDHALOX15FLT3PDGFRBPDGFRA
SCHEMBL27688093 0.73 TUBB4A (0.41) MEN1KMT2AKDM4ELMNACYP1A2

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-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 — — CN disclosed
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