SCHEMBL11039714

SCHEMBL11039714

CCOCCOCCOc1cccc2ccc(C#N)nc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.64
KDM4E B2RXH2 7/20 0.50
LMNA P02545 4/20 0.50
SRC P12931 1/20 0.50
HTT P42858 1/20 0.50
MCHR1 Q99705 6/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SOS2 Q07890 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11037545 0.99 NCF1 (0.65) NCF1KDM4ELMNASRCHTT
SCHEMBL11037639 0.93 NCF1 (0.61) NCF1KDM4ELMNASRCHTT
SCHEMBL11036820 0.93 NCF1 (0.61) NCF1KDM4ELMNASRCHTT
SCHEMBL11040426 0.86 MCHR1 (0.65) NCF1KDM4ELMNASRCMCHR1
SCHEMBL11041348 0.84 SRC (0.58) NCF1KDM4ELMNASRCMCHR1
SCHEMBL11041327 0.83 SRC (0.57) NCF1SRCMCHR1SOS2
SCHEMBL11035995 0.83 MCHR1 (0.65) NCF1KDM4ELMNASRCHTT
SCHEMBL14084199 0.81 SRC (0.52) NCF1KDM4ELMNASRCHTT
SCHEMBL11035896 0.78 MCHR1 (0.47) NCF1KDM4ELMNASRCHTT
SCHEMBL18816623 0.77 MAPT (0.69) NCF1KDM4ELMNAHTTMAPT

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
EP-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed