SCHEMBL6911324

SCHEMBL6911324

CC(=Nc1ccccc1)c1cccc(C(C)=Nc2c(C)cccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HSP90AA1 P07900 2/20 0.36
CRHR1 P34998 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL6911321 1.00 NOS3 (0.40) NOS3NOS1GRIN2DGRIN3BGRIN1
SCHEMBL4606190 0.90 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4606192 0.90 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6912476 0.89 NOS1 (0.37) NOS3NOS1GRIN2DGRIN3BGRIN1
SCHEMBL6912474 0.89 NOS1 (0.37) NOS3NOS1GRIN2DGRIN3BGRIN1
SCHEMBL6912087 0.89 MEN1 (0.38) NOS3NOS1GRIN2DGRIN3BGRIN1
SCHEMBL15082906 0.89 NOS1 (0.41) NOS3NOS1HSP90AA1MEN1KMT2A
SCHEMBL28632579 0.88 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30537959 0.88 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5693784 0.88 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed