SCHEMBL6854930

SCHEMBL6854930

Nc1ccc2nc(-c3ccc(-c4nc5ccc(N)cc5s4)cc3)sc2c1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.96
KDM4E B2RXH2 6/20 0.96
GAA P10253 6/20 0.96
NPC1 O15118 5/20 0.96
RAB9A P51151 5/20 0.96
GLA P06280 4/20 0.96
APP P05067 12/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
TP53 P04637 3/20 0.84
THRB P10828 1/20 0.84
ALDH1A1 P00352 4/20 0.83
HPGD P15428 3/20 0.83
PKM P14618 2/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
POLB P06746 3/20 0.75
PTBP1 P26599 1/20 0.75
CASP1 P29466 1/20 0.75
CASP7 P55210 1/20 0.75
HSD17B10 Q99714 1/20 0.75

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
SCHEMBL1995933 0.98 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL5906538 0.92 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL3193978 0.92 MAPT (0.81) MAPTKDM4EGAANPC1RAB9A
SCHEMBL13806256 0.92 APP (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL31219254 0.92 APP (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL3194266 0.91 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL2628259 0.91 MAPT (0.86) MAPTKDM4EGAANPC1RAB9A
SCHEMBL2174265 0.90 MAPT (0.78) MAPTKDM4EGAANPC1RAB9A
SCHEMBL5906664 0.87 APP (0.84) MAPTKDM4EGAANPC1RAB9A
SCHEMBL17198993 0.87 MAPT (0.74) MAPTKDM4EGAANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO disclosed