SCHEMBL11035896

SCHEMBL11035896

CCCCCCCCCCC(COCCOc1cccc2ccc(C#N)nc12)OCCOc1cccc2ccc(C#N)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.47
NCF1 P14598 4/20 0.42
SRC P12931 1/20 0.40
KDM4E B2RXH2 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOS2 Q07890 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11035995 0.84 MCHR1 (0.65) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11040426 0.82 MCHR1 (0.65) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11036571 0.81 MCHR1 (0.47) MCHR1NCF1KDM4ELMNAHTT
SCHEMBL11037545 0.79 NCF1 (0.65) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11036820 0.79 NCF1 (0.61) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11037639 0.79 NCF1 (0.61) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11039714 0.78 NCF1 (0.64) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL11041327 0.78 SRC (0.57) MCHR1NCF1SRCSOS2
SCHEMBL11041348 0.76 SRC (0.58) MCHR1NCF1SRCKDM4ELMNA
SCHEMBL14084199 0.70 SRC (0.52) MCHR1NCF1SRCKDM4ELMNA

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-0125276-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-21 EP disclosed
WO-1984001946-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed