SCHEMBL11537772

SCHEMBL11537772

O=C1c2cccc(S)c2C(=O)c2c1cccc2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CDC25B P30305 2/20 0.44
ADORA2A P29274 2/20 0.44
MAPT P10636 6/20 0.43
MAPK1 P28482 4/20 0.43
NSD2 O96028 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAOB P27338 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12626745 0.88 MAPT (0.52) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL11604832 0.88 MAPT (0.40) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL1038974 0.86 ADORA2A (0.57) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
Benzene SCHEMBL5134281 0.86 ADORA2A (0.57) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL3062545 0.86 MAPT (0.54) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
Ammonia Solution, Strong SCHEMBL27523091 0.84 ADORA2A (0.55) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL1886170 0.84 ADORA2A (0.59) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL16491897 0.82 MEN1 (0.55) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL24736915 0.82 HDAC4 (0.52) L3MBTL1ALDH1A1MEN1KMT2ACDC25B
SCHEMBL11424452 0.82 HDAC4 (0.52) L3MBTL1ALDH1A1MEN1KMT2ACDC25B

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-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 US disclosed