SCHEMBL28301892

SCHEMBL28301892

FC=Cc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GLA P06280 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
GPR3 P46089 1/20 0.45
TDO2 P48775 3/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45

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
SCHEMBL27943756 0.89 KIF11 (0.57) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL10434358 0.84 KIF11 (0.52) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL9502236 0.82 KIF11 (0.50) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL15414036 0.82 KIF11 (0.50) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL7054451 0.82 KIF11 (0.55) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL11649303 0.82 KIF11 (0.50) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL7054456 0.82 KIF11 (0.55) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL9050936 0.82 KIF11 (0.50) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL4592748 0.82 KIF11 (0.50) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL28881502 0.81 KIF11 (0.49) KIF11MAPTKDM4EMEN1KMT2A

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-109937030-A Skin cosmetic 日清纺控股株式会社 2019-06-25 CN disclosed