SCHEMBL11041327

SCHEMBL11041327

N#Cc1ccc2cccc(OCCCCCCCCCCOc3cccc4ccc(C#N)nc34)c2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
MCHR1 Q99705 9/20 0.54
SOS2 Q07890 1/20 0.53
NCF1 P14598 4/20 0.48
PLAU P00749 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL11041348 0.95 SRC (0.58) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11035995 0.93 MCHR1 (0.65) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11040426 0.91 MCHR1 (0.65) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11036820 0.89 NCF1 (0.61) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11037639 0.89 NCF1 (0.61) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11037545 0.84 NCF1 (0.65) SRCMCHR1SOS2NCF1PLAU
SCHEMBL11039714 0.83 NCF1 (0.64) SRCMCHR1SOS2NCF1
SCHEMBL14084199 0.79 SRC (0.52) SRCMCHR1SOS2NCF1PLAU
SCHEMBL4703472 0.79 SRC (0.61) SRCMCHR1SOS2NPC1RAB9A
SCHEMBL11035896 0.78 MCHR1 (0.47) SRCMCHR1SOS2NCF1

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