SCHEMBL11041348

SCHEMBL11041348

N#Cc1ccc2cccc(OCCCOc3cccc4ccc(C#N)nc34)c2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.58
SOS2 Q07890 1/20 0.54
MCHR1 Q99705 6/20 0.54
NCF1 P14598 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PLAU P00749 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11041327 0.95 SRC (0.57) SRCSOS2MCHR1NCF1NPC1
SCHEMBL11040426 0.92 MCHR1 (0.65) SRCSOS2MCHR1NCF1NPC1
SCHEMBL11037639 0.91 NCF1 (0.61) SRCSOS2MCHR1NCF1RAB9A
SCHEMBL11036820 0.91 NCF1 (0.61) SRCSOS2MCHR1NCF1RAB9A
SCHEMBL11035995 0.89 MCHR1 (0.65) SRCSOS2MCHR1NCF1NPC1
SCHEMBL11037545 0.86 NCF1 (0.65) SRCSOS2MCHR1NCF1PLAU
SCHEMBL11039714 0.84 NCF1 (0.64) SRCSOS2MCHR1NCF1KDM4E
SCHEMBL14084199 0.81 SRC (0.52) SRCSOS2MCHR1NCF1PLAU
SCHEMBL4703472 0.80 SRC (0.61) SRCSOS2MCHR1NPC1RAB9A
SCHEMBL11035896 0.76 MCHR1 (0.47) SRCSOS2MCHR1NCF1KDM4E

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