SCHEMBL11280487

SCHEMBL11280487

O=C(O)Cn1c2cccccc-2c(C(=O)O)c1=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
APEX1 P27695 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL11272059 0.82 APEX1 (0.47) KDM4EAPEX1CA12CA9GLA
SCHEMBL11265517 0.73 APEX1 (0.45) KDM4EAPEX1CA12CA9GLA
SCHEMBL11270472 0.73 CA12 (0.45) KDM4EAPEX1CA12CA9GLA
SCHEMBL11279531 0.72 ALDH1A1 (0.48) KDM4ECA12CA9L3MBTL1ALDH1A1
SCHEMBL11282506 0.68 ALDH1A1 (0.51) KDM4ECA12CA9L3MBTL1ALDH1A1
SCHEMBL11275890 0.67 ALDH1A1 (0.51) KDM4EAPEX1CA12CA9GLA
SCHEMBL11275635 0.67 APEX1 (0.45) KDM4EAPEX1CA12CA9GLA
SCHEMBL11279146 0.66 APEX1 (0.49) KDM4EAPEX1ALDH1A1HPGDHSD17B10
SCHEMBL4494789 0.64 KDM4E (0.69) KDM4EAPEX1GLAL3MBTL1ALDH1A1
SCHEMBL11192533 0.62 MAPT (0.53) KDM4EAPEX1GLAL3MBTL1ALDH1A1

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-4337265-A COMPLICATIONS OF DIABETES AYERST, MCKENNA & HARRISON INC. (CA) 1982-06-29 US claimed