SCHEMBL13296265

SCHEMBL13296265

N=c1cc2oc3cc(N)cc4oc5cc(N)cc6oc(c1)c2c(c43)c56

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3876339 0.72 MAPT (0.35) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3877860 0.68 MGAM (0.50) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL10028228 0.62 CA2 (0.38) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL18125391 0.61 ALDH1A1 (0.40) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL10815179 0.60 SMN1; SMN2 (0.48) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3883400 0.60 KDM4E (0.56) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3876991 0.59 MGAM (0.53) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL8310282 0.58 CDK9 (0.35) KDM4EALDH1A1HPGDRAB9A
SCHEMBL1547415 0.57 KDM4E (0.75) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL4426408 0.55 CA2 (0.47) MAPTKDM4EMEN1ALDH1A1HPGD

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-2010067078-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LABORATORIES LTD. (SG) 2010-06-17 WO disclosed