SCHEMBL28061806

SCHEMBL28061806

c1cn(-c2ccc(-n3ccnc3)s2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP2A6 P11509 1/20 0.45
IDO1 P14902 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP19A1 P11511 2/20 0.41
USP2 O75604 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
SCHEMBL29241982 0.86 CYP3A4 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL10365361 0.82 CYP11B1 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27958208 0.80 CYP11B1 (0.54) CYP3A4LMNAMAPTIDO1MEN1
SCHEMBL10364629 0.75 CYP3A4 (0.44) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL11104630 0.75 CYP3A4 (0.34) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL7644186 0.74 CYP3A4 (0.48) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL245104 0.73 CYP3A4 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27590600 0.73 CYP3A4 (0.47) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL10365542 0.73 CYP3A4 (0.39) CYP3A4MAPTENPP2MKNK1MKNK2
SCHEMBL10729453 0.73 TBXAS1 (0.46) CYP3A4LMNAENPP2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601657-A Blue-light fluorescent powder for LED and preparation method and application thereof in white-light LED CHEN Jin 2016-05-25 CN claimed
CN-105601657-A Blue-light fluorescent powder for LED and preparation method and application thereof in white-light LED CHEN Jin 2016-05-25 CN disclosed