SCHEMBL11040426

SCHEMBL11040426

CCCCOc1cccc2ccc(C#N)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.65
SRC P12931 1/20 0.55
SOS2 Q07890 1/20 0.50
NCF1 P14598 4/20 0.48
PLAU P00749 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL11035995 0.96 MCHR1 (0.65) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11041348 0.92 SRC (0.58) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11041327 0.91 SRC (0.57) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11037545 0.87 NCF1 (0.65) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11037639 0.87 NCF1 (0.61) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11036820 0.87 NCF1 (0.61) MCHR1SRCSOS2NCF1PLAU
SCHEMBL11039714 0.86 NCF1 (0.64) MCHR1SRCSOS2NCF1KDM4E
SCHEMBL11035896 0.82 MCHR1 (0.47) MCHR1SRCSOS2NCF1KDM4E
SCHEMBL10063304 0.81 MCHR1 (0.72) MCHR1NCF1KDM4EMAPTLMNA
SCHEMBL10063463 0.80 MCHR1 (0.70) MCHR1NCF1KDM4EMAPTLMNA

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