SCHEMBL11035995

SCHEMBL11035995

CCCCCCCCOc1cccc2ccc(C#N)nc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.65
SRC P12931 1/20 0.51
SOS2 Q07890 1/20 0.47
NCF1 P14598 4/20 0.45
TLR8 Q9NR97 1/20 0.42
PLAU P00749 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11040426 0.96 MCHR1 (0.65) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11041327 0.93 SRC (0.57) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11041348 0.89 SRC (0.58) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11037545 0.84 NCF1 (0.65) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11035896 0.84 MCHR1 (0.47) MCHR1SRCSOS2NCF1KDM4E
SCHEMBL11036820 0.83 NCF1 (0.61) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11037639 0.83 NCF1 (0.61) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11039714 0.83 NCF1 (0.64) MCHR1SRCSOS2NCF1KDM4E
SCHEMBL11041034 0.80 SRC (0.45) MCHR1SRCSOS2NCF1PLAU
SCHEMBL10682868 0.80 MCHR1 (0.72) MCHR1NCF1KDM4EALDH1A1HPGD

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