SCHEMBL8034733

SCHEMBL8034733

COc1ccc2c(c1)N(C)/C(=C/C(=O)Nc1ccccc1)S2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 8/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 4/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 2/20 0.48
HSD17B10 Q99714 6/20 0.48
DYRK1A Q13627 4/20 0.48
HPGD P15428 3/20 0.48
PIM1 P11309 2/20 0.48

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
SCHEMBL8034699 0.89 MAPT (0.47) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8036084 0.86 MAPT (0.69) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8025153 0.84 MAPT (0.53) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8034946 0.83 MAPT (0.56) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8038545 0.82 ALDH1A1 (0.55) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8038644 0.81 MAPT (0.56) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL4012059 0.80 MAPT (0.70) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8034729 0.79 MAPT (0.55) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8020524 0.78 DYRK1A (0.67) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL8040991 0.77 DYRK1A (0.57) MAPTALDH1A1RAB9ANPC1L3MBTL1

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