SCHEMBL17875362

SCHEMBL17875362

C/C(=C/C(C)=N/c1ccccc1)Nc1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 2/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
CRHR1 P34998 1/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5892472 0.87 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17875369 0.82 NOS3 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17875363 0.81 KMT2A (0.47) KDM4E
SCHEMBL15312987 0.80 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15312983 0.80 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5681453 0.80 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5681448 0.80 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15312985 0.80 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16202783 0.77 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26051008 0.76 NOS1 (0.47) 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
EP-3037409-A1 BIMETALLIC CATALYST FOR OLEFIN POLYMERIZATION Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2016-06-29 EP disclosed