SCHEMBL28836951

SCHEMBL28836951

c1ccc(C(Oc2cc3ncccc3s2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2C Q14957 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KIF11 P52732 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLA P06280 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
SCHEMBL7528026 0.74 KDM4E (0.39) NAMPTGRIN3BGRIN1GRIN2CNPC1
SCHEMBL29631244 0.74 PDGFRB (0.44) GRIN3BGRIN1GRIN2CNPC1RAB9A
SCHEMBL5228230 0.72 GRIN3B (0.44) NAMPTGRIN3BGRIN1GRIN2CNPC1
SCHEMBL28750537 0.68 ALOX5 (0.46) NAMPTGRIN3BGRIN1GRIN2CNPC1
SCHEMBL3483357 0.68 ALOX5 (0.44) GRIN3BGRIN1GRIN2CNPC1RAB9A
SCHEMBL4824051 0.67 IKBKB (0.46) GRIN3BGRIN1GRIN2CNPC1RAB9A
SCHEMBL28017683 0.67 ALOX5 (0.43) NAMPTGRIN3BGRIN1GRIN2CNPC1
SCHEMBL29987215 0.66 IKBKB (0.45) GRIN3BGRIN1GRIN2CNPC1RAB9A
SCHEMBL5230822 0.66 ALOX5 (0.47) NAMPTGRIN3BGRIN1GRIN2CNPC1
SCHEMBL1479681 0.65 ALOX5 (0.42) NAMPTGRIN3BGRIN1GRIN2CNPC1

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-109311907-B Preparation method of high-purity prasugrel 吉瑞工厂 2022-09-13 CN disclosed