SCHEMBL9313474

SCHEMBL9313474

O=C(NO)c1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.58
SELP P16109 1/20 0.58
MPO P05164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC1 Q13547 1/20 0.48
PIK3CA P42336 4/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALOX5 P09917 1/20 0.44
TERT O14746 1/20 0.44
EGFR P00533 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1436240 0.84 GAA (0.69) MPOKDM4EGAASMN1; SMN2HIF1A
SCHEMBL29557383 0.82 ALDH1A1 (0.59) SELLSELPMPOKDM4EGAA
SCHEMBL4213430 0.82 ALDH1A1 (0.59) SELLSELPMPOKDM4EGAA
SCHEMBL25434571 0.81 SELL (0.47) SELLSELPKDM4ESMN1; SMN2HDAC1
SCHEMBL26296693 0.80 SELL (0.56) SELLSELPKDM4EGAAHDAC1
Hydrochloric Acid SCHEMBL9469374 0.80 ALDH1A1 (0.57) SELLSELPMPOKDM4EGAA
SCHEMBL2640107 0.79 SELL (0.50) SELLSELPMPOKDM4EGAA
SCHEMBL3658145 0.79 SELL (0.60) SELLSELPKDM4EGAAHDAC1
SCHEMBL25410705 0.78 ALOX5 (0.50) SELLSELPHDAC1HDAC6ALOX5
SCHEMBL11076587 0.77 KDM4E (0.48) SELLSELPMPOKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263322-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T 1981-04-21 US claimed
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed
EP-0140958-B1 ONCOLYTIC DRUG COMBINATIONS ELFORD, Howard L. (US) 1989-12-20 EP disclosed
EP-0140958-A4 ONCOLYTIC DRUG COMBINATIONS. ELFORD HOWARD L (US) 1985-09-02 EP disclosed
EP-0140958-A1 ONCOLYTIC DRUG COMBINATIONS. ELFORD HOWARD L (US) 1985-05-15 EP disclosed
WO-1984004246-A1 ONCOLYTIC DRUG COMBINATIONS ELFORD HOWARD L 1984-11-08 WO disclosed
US-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 US disclosed
US-4394389-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1983-07-19 US disclosed
US-4394389-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1983-07-19 US disclosed
US-4263322-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T 1981-04-21 US disclosed
US-4263322-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T 1981-04-21 US disclosed