SCHEMBL13680707

SCHEMBL13680707

CNC(=S)c1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
PKM P14618 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
APEX1 P27695 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 5/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
TOP2A P11388 3/20 0.38
TOP2B Q02880 3/20 0.38
NQO2 P16083 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TOP1 P11387 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL13680696 0.80 GSK3B (0.43) MAPTKDM4ENPC1PKMTDP1
SCHEMBL13680504 0.79 PLK1 (0.50) MAPTKDM4EPKMPOLBGSK3B
SCHEMBL13680701 0.79 TOP2A (0.53) MAPTKDM4ENPC1TDP1GSK3B
SCHEMBL23197679 0.77 TDP1 (0.56) MAPTKDM4ENPC1TDP1GSK3B
SCHEMBL13680703 0.76 ALDH1A1 (0.46) MAPTKDM4ENPC1PKMTDP1
SCHEMBL13681315 0.75 TOP2A (0.44) MAPTKDM4ENPC1PKMTDP1
SCHEMBL9629049 0.74 GAA (0.46) MAPTNPC1POLBL3MBTL1ALDH1A1
SCHEMBL13680465 0.73 GSK3B (0.61) MAPTKDM4ENPC1PKMTDP1
SCHEMBL13680452 0.73 GSK3B (0.61) MAPTKDM4ENPC1PKMGSK3B
SCHEMBL5655892 0.72 GSK3B (0.64) MAPTKDM4ENPC1TDP1POLB

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed