SCHEMBL7004020

SCHEMBL7004020

c1ccc2nc(-c3ccc4c(c3)OCCO4)ccc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.83
RAB9A P51151 12/20 0.83
NPC1 O15118 11/20 0.83
MAPT P10636 10/20 0.83
KDM4E B2RXH2 9/20 0.83
ALDH1A1 P00352 9/20 0.83
NFKB1 P19838 4/20 0.83
NFKB2 Q00653 4/20 0.83
RELA Q04206 4/20 0.83
L3MBTL1 Q9Y468 3/20 0.83
LMNA P02545 2/20 0.83
GAA P10253 2/20 0.51
PKM P14618 3/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
AR P10275 2/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 4/20 0.49

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
SCHEMBL29746267 0.91 KDM4E (1.00) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL7004578 0.91 KDM4E (1.00) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL7005467 0.76 MAPT (0.50) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL1304848 0.76 MAOA (0.57) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL34467584 0.76 NPC1 (0.63) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL240431 0.76 NPC1 (0.63) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL12112870 0.75 RAB9A (0.80) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL2220158 0.74 NPC1 (0.61) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL4337601 0.74 NPC1 (0.61) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL17449881 0.74 RAB9A (0.62) SMN1; SMN2RAB9ANPC1MAPTKDM4E

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-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed