SCHEMBL8777061

SCHEMBL8777061

[c]1c(-c2nccc3ccccc23)ccc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLAU P00749 2/20 0.38
CYP2A6 P11509 1/20 0.38
F12 P00748 1/20 0.38
NCF1 P14598 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
TNF P01375 1/20 0.36
PLG P00747 1/20 0.36
MAPK1 P28482 3/20 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
SCHEMBL467327 0.88 MAPT (0.43) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18317710 0.82 MAPT (0.42) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18317395 0.81 MAPT (0.45) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18317679 0.81 MAPT (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL27865333 0.76 TNF (0.37) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18321128 0.75 MAPT (0.43) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL27826181 0.73 KDM4E (0.37) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL31303921 0.73 TNF (0.62) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL6007118 0.72 KDM4E (0.38) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL3820783 0.72 MAPT (0.43) KDM4EMAPTNPC1RAB9AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762100-A Selective sphingosine-1-phosphate receptor modulators and chiral synthesis methods RECEPTOS INC 2012-10-31 CN disclosed
CN-102753022-A Selective heterocyclic sphingosine 1-phosphate receptor modulators RECEPTOS INC 2012-10-24 CN disclosed
CN-102724880-A Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS INC 2012-10-10 CN disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed