SCHEMBL9989803

SCHEMBL9989803

O=C(Cl)c1cc2cc(O)ccc2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.73
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
GLA P06280 1/20 0.69
GAA P10253 1/20 0.69
HPGD P15428 1/20 0.69
CASP1 P29466 1/20 0.69
BRCA1 P38398 1/20 0.69
CASP7 P55210 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
CLK1 P49759 2/20 0.65
DYRK1A Q13627 2/20 0.65
DYRK1B Q9Y463 2/20 0.65
CA2 P00918 2/20 0.53
LCK P06239 1/20 0.53
MAOA P21397 2/20 0.51
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50

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
SCHEMBL28795137 0.85 FLT3 (1.00) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL31060304 0.85 FLT3 (1.00) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL29431747 0.83 FLT3 (0.76) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL10508628 0.83 FLT3 (0.76) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL648526 0.83 FLT3 (0.76) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL30402838 0.81 KDM4E (1.00) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL3613922 0.81 MAOB (0.63) FLT3KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1390692 0.81 KDM4E (1.00) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL23875930 0.80 NPC1 (0.47) FLT3KDM4EALDH1A1LMNAGLA
SCHEMBL3619989 0.80 PIM1 (0.72) FLT3KDM4EALDH1A1LMNAGLA

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-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed