SCHEMBL11632005

SCHEMBL11632005

O=C(O)c1cccc2c1C(=O)c1ccccc1S2(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
CHEK1 O14757 2/20 0.55
RAB9A P51151 1/20 0.55
USP2 O75604 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GPR3 P46089 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HNF4A P41235 1/20 0.45
MYC P01106 1/20 0.44

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
SCHEMBL18129456 0.86 KEAP1 (0.57) L3MBTL1MAPTALDH1A1LMNACHEK1
SCHEMBL11635209 0.81 CHEK1 (0.55) L3MBTL1MAPTALDH1A1LMNACHEK1
SCHEMBL69132 0.77 ALDH1A1 (0.88) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL581124 0.75 ALDH1A1 (1.00) L3MBTL1MAPTALDH1A1LMNAMEN1
Anthraquinone SCHEMBL8941397 0.75 ALDH1A1 (1.00) L3MBTL1MAPTALDH1A1LMNAUSP2
SCHEMBL461660 0.75 ALDH1A1 (1.00) L3MBTL1MAPTALDH1A1LMNAUSP2
SCHEMBL20256467 0.75 ADORA2A (0.56) L3MBTL1MAPTALDH1A1CHEK1TDP1
SCHEMBL28230943 0.75 GPR3 (0.52) L3MBTL1MAPTALDH1A1CHEK1GPR3
SCHEMBL28450076 0.74 GPR3 (0.47) L3MBTL1ALDH1A1CHEK1GPR3MEN1
SCHEMBL31472931 0.74 GPR3 (0.75) L3MBTL1ALDH1A1CHEK1GPR3MEN1

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-4103015-A TRICYCLIC THIOXANTHONE-10,10-DIOXIDES BURROUGHS WELLCOME CO. (US) 1978-07-25 US disclosed