SCHEMBL4458036

SCHEMBL4458036

O=C(Nc1cc(Cl)c2cccnc2c1O)C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 10/20 0.56
ADAMTS4 O75173 1/20 0.56
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 2/20 0.51
HSP90AA1 P07900 4/20 0.51
ALOX12 P18054 2/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.46
OPRK1 P41145 1/20 0.46
KDR P35968 1/20 0.43

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
SCHEMBL2109899 0.77 HSP90AA1 (0.56) ADAMTS5KMT2AKDM4ETDP1MEN1
SCHEMBL14775771 0.76 L3MBTL1 (0.59) KMT2AKDM4ETDP1MEN1LMNA
SCHEMBL13236176 0.73 KMT2A (0.77) ADAMTS5ADAMTS4KMT2AKDM4ETDP1
SCHEMBL8344356 0.73 KDM4E (0.62) ADAMTS5ADAMTS4KMT2AKDM4ETDP1
SCHEMBL15783247 0.72 ADAMTS5 (0.70) ADAMTS5ADAMTS4KMT2AKDM4ETDP1
SCHEMBL1814553 0.72 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL2111796 0.71 NPC1 (0.54) ADAMTS5KMT2AKDM4ETDP1MEN1
SCHEMBL1814563 0.71 ADAMTS5 (1.00) ADAMTS5ADAMTS4KDM4EHSP90AA1ALOX12
SCHEMBL2153797 0.71 TP53 (0.74) ADAMTS5ADAMTS4KMT2ATDP1MEN1
SCHEMBL1816125 0.71 ADAMTS5 (0.86) ADAMTS5ADAMTS4

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
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed