SCHEMBL6726311

SCHEMBL6726311

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)C1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 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
SCHEMBL14429913 0.99 MAPT (0.48) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL14429923 0.99 MAPT (0.48) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL14429924 0.99 MAPT (0.48) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL6731840 0.99 MAPT (0.48) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL14429925 0.94 SOAT2 (0.46) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL14429940 0.92 MAPT (0.43) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL6726306 0.91 GAA (0.47) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL6720846 0.83 POLB (0.48) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL7532292 0.80 POLB (0.54) MAPTGAAALDH1A1POLBL3MBTL1
SCHEMBL11874571 0.79 GAA (0.74) MAPTGAAALDH1A1POLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed