SCHEMBL8038644

SCHEMBL8038644

CCNC(=O)/C=C1\Sc2ccc(OC)cc2N1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 9/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
HSD17B10 Q99714 6/20 0.56
NPSR1 Q6W5P4 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
DYRK1A Q13627 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 3/20 0.56
BLM P54132 3/20 0.56
PIM1 P11309 2/20 0.56
CSNK1D P48730 2/20 0.56
CSNK1E P49674 2/20 0.56
CLK1 P49759 2/20 0.56
CLK3 P49761 2/20 0.56
CSNK1G2 P78368 2/20 0.56
MAP3K19 Q56UN5 2/20 0.56
PIM3 Q86V86 2/20 0.56

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
SCHEMBL8036087 0.87 DYRK1A (0.74) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8025153 0.86 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8038545 0.84 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8034946 0.82 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL4012059 0.82 MAPT (0.70) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8034733 0.81 MAPT (0.54) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8034729 0.81 MAPT (0.55) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8034699 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8040991 0.79 DYRK1A (0.57) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL13061503 0.78 MAPT (0.67) MAPTALDH1A1MEN1KMT2AHSD17B10

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