SCHEMBL11076587

SCHEMBL11076587

O=C(NO)c1cc(O)c(O)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MPO P05164 2/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 3/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL25060900 0.80 GAA (0.56) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL9313941 0.80 KDM4E (0.47) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL9313474 0.77 SELL (0.58) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL11143960 0.76 GAA (0.52) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL8605862 0.75 HDAC1 (0.50) KDM4EGAASMN1; SMN2HDAC1NSD2
SCHEMBL3517151 0.73 SELL (0.58) KDM4EGAASMN1; SMN2HIF1AHDAC1
SCHEMBL11049772 0.73 HDAC6 (0.42) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL25060909 0.72 GAA (0.50) KDM4EMPOGAASMN1; SMN2HIF1A
SCHEMBL6376194 0.71 KDM4E (0.44) KDM4EGAASMN1; SMN2HDAC1NSD2
SCHEMBL28610455 0.71 SELL (0.56) KDM4EGAASMN1; SMN2HIF1AHDAC1

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-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 US disclosed
US-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 US disclosed