SCHEMBL18538286

SCHEMBL18538286

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(-c3ccccc3)cc(c1OS(=O)(=O)c1ccccc1)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 3/20 0.47
CYP1A2 P05177 1/20 0.34
F2 P00734 1/20 0.34
DUSP5 Q16690 1/20 0.33
DUSP6 Q16828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPL P05186 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
HCRTR1 O43613 1/20 0.32
P2RX7 Q99572 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 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
SCHEMBL18538248 0.94 ING2 (0.36) ING2F2DUSP5DUSP6MEN1
SCHEMBL18538263 0.94 ING2 (0.36) ING2F2DUSP5DUSP6MEN1
SCHEMBL18538261 0.94 ING2 (0.36) ING2F2DUSP5DUSP6MEN1
SCHEMBL18538315 0.94 ING2 (0.53) ING2CYP1A2F2DUSP5DUSP6
SCHEMBL18538284 0.94 ING2 (0.53) ING2CYP1A2F2DUSP5DUSP6
SCHEMBL18538306 0.88 ING2 (0.60) ING2DUSP5DUSP6SMN1; SMN2TSHR
SCHEMBL18538304 0.88 ING2 (0.60) ING2DUSP5DUSP6SMN1; SMN2TSHR
SCHEMBL18538260 0.88 ING2 (0.40) ING2F2DUSP5DUSP6MEN1
SCHEMBL18538294 0.86 ING2 (0.46) ING2MEN1KMT2AP2RX7
SCHEMBL18538299 0.84 ING2 (0.44) ING2MEN1KMT2ACA2

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
US-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 US disclosed