SCHEMBL6199586

SCHEMBL6199586

CCOC(=O)c1c(O)c2cccc([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
KDM5A P29375 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
FBP1 P09467 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
APLNR P35414 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL5888027 0.87 PARP1 (0.49) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL3245558 0.78 CLEC4M (0.52) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL5897372 0.77 FBP1 (0.57) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL15333406 0.77 FBP1 (0.54) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL28457774 0.76 FBP1 (0.73) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL28455715 0.76 FBP1 (0.56) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL1058188 0.75 KDM5A (0.68) KDM5AKDM5BALDH1A1HPGDGAA
SCHEMBL5309383 0.75 PDE3B (0.46) KDM5AKDM5BALDH1A1MEN1KMT2A
SCHEMBL13405568 0.74 PTGS1 (0.43) PARP1FBP1ALDH1A1MAPTNPC1
SCHEMBL20569277 0.74 KDM5A (0.55) PARP1KDM5AKDM5BALDH1A1MAPT

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed