SCHEMBL13985248

SCHEMBL13985248

N#CSc1cc(S)c(N)nc1N

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.74
USP8 P40818 1/20 0.74
USP5 P45974 1/20 0.74
USP4 Q13107 1/20 0.74
USP7 Q93009 1/20 0.74
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL13024499 0.86 USP2 (1.00) USP2USP8USP5USP4USP7
SCHEMBL13065926 0.78 USP2 (0.84) USP2USP8USP5USP4USP7
SCHEMBL18079755 0.78 USP2 (0.84) USP2USP8USP5USP4USP7
Hydrochloric Acid SCHEMBL28750492 0.69 NQO1 (0.38) USP2USP8USP5USP4USP7
SCHEMBL11173991 0.65 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL9387702 0.63 USP2 (0.53) USP2USP8USP5USP4USP7
SCHEMBL10412909 0.63 USP2 (0.60) USP2USP8USP5USP4USP7
Hydrochloric Acid SCHEMBL5861955 0.61 MAPT (0.36)
SCHEMBL7760480 0.59 KDM4E (0.59) USP2USP8USP5USP4USP7
SCHEMBL11368421 0.58 USP2 (0.42) USP2USP8USP5USP4USP7

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
WO-2008156676-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-12-24 WO disclosed