SCHEMBL4452805

SCHEMBL4452805

Cc1ccc(/N=N/c2ccc(O)c3ncccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 1.00
KMT2A Q03164 10/20 1.00
MAPT P10636 9/20 1.00
TDP1 Q9NUW8 7/20 1.00
HTT P42858 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
L3MBTL1 Q9Y468 5/20 1.00
LMNA P02545 3/20 1.00
KCNH2 Q12809 2/20 1.00
ALDH1A1 P00352 2/20 1.00
GLO1 Q04760 5/20 0.76
MAPK1 P28482 6/20 0.74
HSP90AA1 P07900 5/20 0.74
KDM4E B2RXH2 5/20 0.74
RAB9A P51151 4/20 0.74
AGTR1 P30556 2/20 0.74
OPRK1 P41145 2/20 0.74
ATM Q13315 2/20 0.74
HKDC1 Q2TB90 1/20 0.74
NPC1 O15118 4/20 0.71

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
SCHEMBL4452808 1.00 MEN1 (1.00) MEN1KMT2AMAPTTDP1HTT
SCHEMBL5851373 0.93 GLO1 (0.88) MEN1KMT2AMAPTTDP1HTT
SCHEMBL5851384 0.93 GLO1 (0.88) MEN1KMT2AMAPTTDP1HTT
SCHEMBL4454234 0.88 GLO1 (0.81) MEN1KMT2AMAPTTDP1HTT
SCHEMBL4454233 0.88 GLO1 (0.81) MEN1KMT2AMAPTTDP1HTT
SCHEMBL4465315 0.87 GLO1 (1.00) MEN1KMT2AMAPTTDP1HTT
SCHEMBL4465316 0.87 GLO1 (1.00) MEN1KMT2AMAPTTDP1HTT
SCHEMBL6417375 0.84 GLO1 (0.79) MEN1KMT2AMAPTTDP1HTT
SCHEMBL27870367 0.83 MEN1 (0.76) MEN1KMT2AMAPTTDP1HTT
SCHEMBL15825851 0.82 GLO1 (1.00) MEN1KMT2AMAPTTDP1HTT

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