SCHEMBL4455073

SCHEMBL4455073

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 7/20 0.49
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
TDP1 Q9NUW8 6/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSP90AA1 P07900 3/20 0.44
GAA P10253 3/20 0.44
ALOX12 P18054 1/20 0.44
JMJD7 P0C870 1/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
PKM P14618 2/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL4458598 0.85 KDM4E (0.53) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4457912 0.82 LMNA (0.51) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4461917 0.81 ALDH1A1 (0.58) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4461811 0.81 MAPT (0.53) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4461261 0.81 KDM4E (0.55) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4457029 0.81 JMJD7 (0.68) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4470211 0.80 LMNA (0.56) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4461381 0.80 ALDH1A1 (0.52) PDE10AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4455047 0.80 KMT2A (0.56) KDM4EALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4455074 0.79 PDE10A (0.52) PDE10AKDM4EALDH1A1LMNASMN1; SMN2

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