SCHEMBL9312464

SCHEMBL9312464

NC(=NO)c1cc(O)cc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
KDM1A O60341 8/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CES2 O00748 1/20 0.31

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
SCHEMBL18732057 0.71 SELL (0.46) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL18732063 0.71 SELL (0.46) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL1699097 0.71 SELL (0.46) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL10180582 0.71 GAA (0.40) GAAESR1ESR2KDM1ALMNA
SCHEMBL3455633 0.71 GAA (0.40) GAAESR1ESR2KDM1ALMNA
SCHEMBL13926729 0.71 GAA (0.40) GAAESR1ESR2KDM1ALMNA
SCHEMBL18717467 0.70 RECQL (0.50) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL4168972 0.70 RECQL (0.50) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL4168968 0.70 RECQL (0.50) GAAKDM1ARECQLLMNAL3MBTL1
SCHEMBL9313492 0.70 LMNA (0.46) GAAKDM1ARECQLLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 US disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 US disclosed