SCHEMBL28051403

SCHEMBL28051403

Nc1ncc(-c2ccc(C[SH](=O)=O)cc2)cc1-c1ccc(C[SH](=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.57
FYN P06241 4/20 0.55
MAP4K4 O95819 12/20 0.53
CHEK2 O96017 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MINK1 Q8N4C8 2/20 0.48
TNIK Q9UKE5 2/20 0.48
CYP1A2 P05177 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL27885119 0.93 USP7 (0.70) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27885050 0.93 MAP4K4 (0.60) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27885129 0.93 MAP4K4 (0.52) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27902097 0.91 FYN (0.53) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27902105 0.90 USP7 (0.47) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27885062 0.90 USP7 (0.50) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27902095 0.89 MAP4K4 (0.62) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL27885054 0.89 MAP4K4 (0.62) USP7FYNMAP4K4CHEK2MKNK1
SCHEMBL28051402 0.89 CHEK2 (0.68) FYNMAP4K4CHEK2MKNK1
SCHEMBL27902088 0.89 FYN (0.54) USP7FYNMAP4K4CHEK2MKNK1

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-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed