SCHEMBL12475322

SCHEMBL12475322

O=[N+]([O-])c1ccc2c(ccn2CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
KRAS P01116 1/20 0.49
SLC6A2 P23975 1/20 0.48
GLS O94925 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
HTR7 P34969 1/20 0.42
AR P10275 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL29167245 0.88 MAPT (0.51) PLGPLAUKRASSLC6A2GLS
SCHEMBL30785020 0.88 MAPT (0.51) PLGPLAUKRASSLC6A2GLS
SCHEMBL2420811 0.84 CYP1A2 (0.53) PLGPLAUKRASSLC6A2GLS
SCHEMBL30764997 0.83 PLG (0.48) PLGPLAUKRASSLC6A2GLS
SCHEMBL5591112 0.83 KRAS (0.52) PLGPLAUKRASSLC6A2MAPT
SCHEMBL3184801 0.83 KRAS (0.55) PLGPLAUKRASSLC6A2AR
SCHEMBL6230447 0.83 PLG (0.46) PLGPLAUKRASSLC6A2GLS
SCHEMBL13299389 0.82 KRAS (0.54) PLGPLAUKRASSLC6A2HTR7
SCHEMBL30672928 0.81 PLG (0.46) PLGPLAUKRASSLC6A2GLS
SCHEMBL16371052 0.81 PLG (0.46) PLGPLAUKRASSLC6A2GLS

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-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 WO disclosed