SCHEMBL7990139

SCHEMBL7990139

COc1cccc(Oc2c(Cl)nc(-c3ccncc3)nc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
DHPS P49366 3/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
ABCB1 P08183 1/20 0.46
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPK14 Q16539 2/20 0.42
GCGR P47871 1/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 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
SCHEMBL7979230 0.83 MAPT (0.58) MAPTKDM4ELMNAMAPK1NPC1
SCHEMBL7303236 0.83 CLK4 (0.51) MAPTKDM4ELMNAMAPK1RAB9A
SCHEMBL7298473 0.79 DHPS (0.47) MAPTKDM4ELMNAMAPK1NPC1
SCHEMBL25270126 0.78 MAPT (0.46) MAPTKDM4ENPC1RAB9ADHPS
SCHEMBL9423667 0.78 NPC1 (0.52) MAPTKDM4ELMNAMAPK1NPC1
SCHEMBL7990440 0.77 EDNRB (0.55)
SCHEMBL4071996 0.77 DHPS (0.67) NPC1RAB9ADHPSTP53SMN1; SMN2
SCHEMBL7991567 0.76 EDNRA (0.62)
SCHEMBL7589698 0.76 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9ADHPS
SCHEMBL15591631 0.75 NPC1 (0.54) MAPTKDM4ELMNAMAPK1NPC1

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