SCHEMBL28060781

SCHEMBL28060781

C1=CCN(c2ccccc2)C(c2ccccc2)=C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SIGMAR1 Q99720 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7789814 0.76 KMT2A (0.32) KMT2AMAPT
SCHEMBL5229204 0.70 NPC1 (0.38) NPC1RAB9ASIGMAR1MEN1KMT2A
SCHEMBL3793801 0.70 CRHBP (0.34) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL4782693 0.69 OXTR (0.35) GLAMAPK1SMN1; SMN2
SCHEMBL11041882 0.69 CALM1 (0.37) NPC1RAB9ASIGMAR1MEN1KMT2A
SCHEMBL4989931 0.68 NPC1 (0.37) NPC1RAB9ASIGMAR1MEN1KMT2A
SCHEMBL11090349 0.66
SCHEMBL28211694 0.64 CA1 (0.36) NPC1RAB9ASIGMAR1MEN1KMT2A
SCHEMBL27913223 0.64 SIGMAR1 (0.43) NPC1RAB9ASIGMAR1MEN1KMT2A
SCHEMBL29577177 0.63 NPC1 (0.38) NPC1RAB9ASIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829314-A ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 株式会社斗山 2016-08-03 CN disclosed