SCHEMBL8034729

SCHEMBL8034729

COc1ccc2c(c1)N(C)/C(=C/C(N)=O)S2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 6/20 0.55
HSD17B10 Q99714 6/20 0.55
NPC1 O15118 5/20 0.55
DYRK1A Q13627 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
KDM4E B2RXH2 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 3/20 0.55
CLK1 P49759 3/20 0.55
NFKB1 P19838 2/20 0.55
PIM1 P11309 2/20 0.55
CSNK1D P48730 2/20 0.55
CSNK1E P49674 2/20 0.55
CLK3 P49761 2/20 0.55
CSNK1G2 P78368 2/20 0.55

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
SCHEMBL8034946 0.88 MAPT (0.56) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL4012059 0.88 MAPT (0.70) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8038545 0.86 ALDH1A1 (0.55) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8025153 0.84 MAPT (0.53) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8040991 0.84 DYRK1A (0.57) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8038644 0.81 MAPT (0.56) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL13061503 0.80 MAPT (0.67) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8034733 0.79 MAPT (0.54) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL8034699 0.78 MAPT (0.47) MAPTALDH1A1RAB9AHSD17B10NPC1
SCHEMBL20307027 0.76 MAPT (0.77) MAPTALDH1A1RAB9AHSD17B10NPC1

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-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed