SCHEMBL8055932

SCHEMBL8055932

O=C(O)c1cc[n+](CCCS(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
APAF1 O14727 1/20 0.39
RGS12 O14924 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL8055397 0.83 KMT2A (0.45) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL19968566 0.81 MEN1 (0.45) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL30218182 0.79 MEN1 (0.44) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL351087 0.79 BCHE (0.52) ACHE
SCHEMBL918101 0.79 PABPC1 (0.47) PABPC1EIF4HCTDSP1KMT2AMEN1
SCHEMBL3072750 0.78 HTT (0.50) PABPC1EIF4HCTDSP1ALDH1A1CYP2C19
Sulfuric Acid SCHEMBL28430151 0.77 BCHE (0.50) ACHE
Water SCHEMBL1254758 0.77 BCHE (0.50) ACHE
SCHEMBL28671146 0.76 PABPC1 (0.38) PABPC1EIF4HCTDSP1KMT2AMEN1
Water SCHEMBL1047262 0.76 HTT (0.48) PABPC1EIF4HCTDSP1ALDH1A1CYP2C19

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-2009060206-A1 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed