SCHEMBL7979230

SCHEMBL7979230

COc1cccc(Oc2c(O)nc(-c3ccncc3)nc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.49
ABCB1 P08183 1/20 0.46
ROCK2 O75116 5/20 0.44
GRK2 P25098 1/20 0.44
ROCK1 Q13464 7/20 0.43
PRKACA P17612 5/20 0.43
PRKX P51817 4/20 0.43
PRKCQ Q04759 4/20 0.43
GRK5 P34947 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43

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
SCHEMBL7990139 0.83 MAPT (0.58) MAPTKDM4EMAPK1LMNANPC1
SCHEMBL25256451 0.78 MAPT (0.46) MAPTKDM4ENPC1RAB9AABCG2
SCHEMBL4061462 0.77 DHPS (0.49) MAPTNPC1RAB9AALDH1A1
SCHEMBL7582159 0.76 HPGD (0.47) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL7700541 0.74 MAPT (0.48) MAPTKDM4EMAPK1LMNANPC1
SCHEMBL8382254 0.70 NPC1 (0.62) NPC1RAB9AABCB1CLK4CYP3A4
SCHEMBL18343119 0.69 CYP1A2 (0.55) MAPTKDM4EMAPK1LMNANPC1
SCHEMBL4059458 0.69 L3MBTL1 (0.52) MAPTMAPK1CYP3A4CYP2C9
SCHEMBL7297004 0.69 KDM4E (0.48) MAPTKDM4EMAPK1LMNANPC1
SCHEMBL13167638 0.67 SMN1; SMN2 (0.72) MAPTKDM4EALDH1A1CYP3A4CYP2D6

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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed