SCHEMBL7920448

SCHEMBL7920448

CCc1oc2cc(O)cc(O)c2c(=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
MGAM O43451 4/20 0.61
SI P14410 3/20 0.61
MGAM2 Q2M2H8 3/20 0.61
PGAM1 P18669 1/20 0.56
PIM1 P11309 4/20 0.55
PLK1 P53350 4/20 0.55
NUAK1 O60285 3/20 0.55
IGF1R P08069 3/20 0.55
SRC P12931 3/20 0.55
KDR P35968 3/20 0.55
PKN1 Q16512 3/20 0.55
AURKB Q96GD4 3/20 0.55
ALK Q9UM73 3/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
FTO Q9C0B1 6/20 0.55
MAOA P21397 6/20 0.55
APP P05067 5/20 0.55
CYP3A4 P08684 5/20 0.55

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
SCHEMBL12663090 0.85 GAA (0.62) GAAMGAMSIMGAM2PIM1
SCHEMBL1858144 0.78 MGAM (0.67) GAAMGAMSIMGAM2PIM1
SCHEMBL22738241 0.78 MEN1 (0.78) GAAMGAMSIMGAM2PIM1
SCHEMBL9838561 0.77 MGAM (1.00) GAAMGAMSIMGAM2PGAM1
SCHEMBL30542658 0.77 MGAM (1.00) GAAMGAMSIMGAM2PGAM1
SCHEMBL28315041 0.76 MAOA (0.65) MGAMMEN1KMT2AFTOMAOA
SCHEMBL12158377 0.75 ABCB1 (0.62) GAAMGAMSIMGAM2PIM1
SCHEMBL3778775 0.73 ALDH1A1 (0.75) GAAMGAMSIMGAM2PGAM1
SCHEMBL9615139 0.73 NUAK1 (0.58) GAAMGAMSIMGAM2PGAM1
SCHEMBL1855594 0.73 KDM4E (0.60) GAAMGAMSIMGAM2PIM1

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-2010033847-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-25 WO disclosed