SCHEMBL8809509

SCHEMBL8809509

Nc1cc2oc(=O)c(CC(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
KMT2A Q03164 5/20 0.34
ATM Q13315 4/20 0.34
MEN1 O00255 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 2/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL8815758 0.81 CA12 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL8808484 0.76 KDM4E (0.52) CA12CA9KMT2AMEN1KDM4E
SCHEMBL14579885 0.76 KDM4E (0.52) CA12CA9KMT2AMEN1KDM4E
SCHEMBL6490439 0.74 AKR1B1 (0.54) CA12CA9KMT2AMEN1KDM4E
SCHEMBL8816911 0.70 CA9 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL30002655 0.69 POLB (0.57) CA12CA1CA9KMT2AATM
SCHEMBL14259812 0.69 ALDH2 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL2274941 0.69 POLB (0.57) CA12CA1CA9KMT2AATM
SCHEMBL4150207 0.69 CA12 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL15788790 0.69 TP53 (0.43) CA12CA1CA2CA9KMT2A

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
US-5696157-A Sulfonated derivatives of 7-aminocoumarin MOLECULAR PROBES, INC. (US) 1997-12-09 US disclosed