SCHEMBL8801403

SCHEMBL8801403

COC(=O)Oc1cc2ccc(C)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
IKBKB O14920 1/20 0.37
LIMK1 P53667 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
CHRM4 P08173 4/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 3/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 3/20 0.33
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8800681 0.84 IKBKB (0.39) BACE1IKBKBLIMK1ALDH1A1KDM4E
SCHEMBL5232001 0.77 CYP2A6 (0.50) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL8559680 0.76 CSNK2A2 (0.50) BACE1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL30059745 0.73 MAPT (0.44) ALDH1A1KDM4ECHRM4MAPTL3MBTL1
SCHEMBL5198179 0.72 HDAC3 (0.49) RAB9AGAA
SCHEMBL8801032 0.71 IKBKB (0.56) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL8563062 0.70 ALDH1A1 (0.56) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL5239202 0.70 CYP2A6 (0.50) MAPTNPC1POLBRAB9AHPGD
SCHEMBL16340590 0.70 CHRM4 (0.46) ALDH1A1KDM4ECHRM4MAPTTDP1
SCHEMBL20722611 0.69 IKBKB (0.50) IKBKBLIMK1ALDH1A1KDM4EMAPT

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-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed