SCHEMBL28092014

SCHEMBL28092014

CCc1cccc(NNc2ccc(CN)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.46
SIGMAR1 Q99720 8/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL28200859 0.79 RAPGEF4 (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL28091779 0.79 NR1H4 (0.46) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL14267973 0.78 LOXL2 (0.59) ALDH1A1MAPTMAPK1HTR6LOXL2
SCHEMBL28091781 0.78 MAPT (0.40) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL28092042 0.78 PLG (0.44) HTR6RAB9ALOXL2
SCHEMBL16590399 0.77 RAPGEF4 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL284046 0.76 LOXL2 (0.55) ALDH1A1SMN1; SMN2LOXL2
SCHEMBL29906073 0.76 LOXL2 (0.55) ALDH1A1SMN1; SMN2LOXL2
SCHEMBL14345461 0.76 RAPGEF4 (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4487877 0.76 RAPGEF4 (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1

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-105985464-A Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2016-10-05 CN claimed