SCHEMBL6854931

SCHEMBL6854931

Nc1ccc2nc(-c3ccccc3-c3nc4ccc(N)cc4s3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
KDM4E B2RXH2 7/20 0.73
GAA P10253 6/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
GLA P06280 4/20 0.73
ALDH1A1 P00352 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
PKM P14618 2/20 0.73
HPGD P15428 2/20 0.73
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
POLB P06746 2/20 0.66
CASP1 P29466 2/20 0.66
CASP7 P55210 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TP53 P04637 2/20 0.66
PTBP1 P26599 1/20 0.66
ILK Q13418 1/20 0.63
APP P05067 8/20 0.60

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
SCHEMBL3194266 0.84 MAPT (1.00) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL5768391 0.84 MAPT (0.57) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL6854930 0.81 MAPT (0.96) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL5535916 0.81 MAPT (0.90) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL1995933 0.80 MAPT (1.00) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL11749206 0.79 MAPT (1.00) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL13281364 0.79 KDM4E (0.75) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL11778608 0.79 KDM4E (0.69) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL29478088 0.78 KDM4E (0.73) MAPTKDM4EGAASMN1; SMN2GLA
SCHEMBL20380097 0.78 KDM4E (0.73) MAPTKDM4EGAASMN1; SMN2GLA

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