SCHEMBL3347336

SCHEMBL3347336

CCOCOc1ccc2nc(NC(=O)c3cc[c]cn3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.60
NPC1 O15118 12/20 0.60
MAPT P10636 8/20 0.60
KMT2A Q03164 4/20 0.60
PKM P14618 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
OPRK1 P41145 1/20 0.60
TP53 P04637 6/20 0.58
KDM4E B2RXH2 3/20 0.58
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 11/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 3/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 2/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.52
USP2 O75604 3/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL3347093 0.88 SMN1; SMN2 (0.67) RAB9ANPC1MAPTKMT2APKM
SCHEMBL3346405 0.86 NPC1 (0.67) RAB9ANPC1MAPTKMT2ANPSR1
SCHEMBL3346882 0.83 SMN1; SMN2 (0.66) RAB9ANPC1MAPTKMT2APKM
SCHEMBL14790064 0.82 NPC1 (0.68) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2485970 0.82 RAB9A (0.64) RAB9ANPC1MAPTKMT2APKM
Bromide SCHEMBL3351950 0.82 MAPT (0.62) RAB9ANPC1MAPTKMT2APKM
SCHEMBL12199474 0.80 RAB9A (0.62) RAB9ANPC1MAPTKMT2APKM
SCHEMBL3347250 0.80 RAB9A (0.67) RAB9ANPC1MAPTKMT2AOPRK1
SCHEMBL2483529 0.79 RAB9A (0.61) RAB9ANPC1MAPTKMT2APKM
SCHEMBL2482559 0.79 MAPT (0.62) RAB9ANPC1MAPTKMT2APKM

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-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed