SCHEMBL28795137

SCHEMBL28795137

O=C(c1cc2cc(O)ccc2o1)c1cc2cc(O)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 1.00
CLK1 P49759 2/20 0.80
DYRK1A Q13627 2/20 0.80
DYRK1B Q9Y463 2/20 0.80
KDM4E B2RXH2 1/20 0.73
ALDH1A1 P00352 1/20 0.73
LMNA P02545 1/20 0.73
GLA P06280 1/20 0.73
GAA P10253 1/20 0.73
HPGD P15428 1/20 0.73
CASP1 P29466 1/20 0.73
BRCA1 P38398 1/20 0.73
CASP7 P55210 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HSD17B10 Q99714 1/20 0.73
CA2 P00918 2/20 0.56
LCK P06239 1/20 0.56
MAOA P21397 2/20 0.54
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53

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
SCHEMBL31060304 1.00 FLT3 (1.00) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL244128 0.91 FLT3 (0.83) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL29431747 0.86 FLT3 (0.76) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL648526 0.86 FLT3 (0.76) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL10508628 0.86 FLT3 (0.76) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL3379125 0.86 CLK1 (0.82) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL9989803 0.85 FLT3 (0.73) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL1390692 0.85 KDM4E (1.00) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL30402838 0.85 KDM4E (1.00) FLT3CLK1DYRK1ADYRK1BKDM4E
SCHEMBL31060274 0.84 FLT3 (1.00) FLT3CLK1DYRK1ADYRK1BKDM4E

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-102186833-A MIF modulators UNIV YALE 2011-09-14 CN disclosed