SCHEMBL29337452

SCHEMBL29337452

O=C1c2cc(S(=O)(=O)O)cc(O)c2C(=O)c2cccc(O)c21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.63
PKLR P30613 2/20 0.58
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 2/20 0.56
MAOB P27338 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 4/20 0.55
RECQL P46063 4/20 0.55
MEN1 O00255 3/20 0.55
CYP3A4 P08684 2/20 0.55
USP2 O75604 2/20 0.55

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
SCHEMBL13239414 0.88 PKLR (0.73) MAOAPKLRMAPTALDH1A1TSHR
SCHEMBL29337569 0.88 PKLR (0.56) MAOAPKLRMAPTALDH1A1TSHR
SCHEMBL5305726 0.86 PKLR (0.53) MAOAPKLRMAPTALDH1A1TSHR
1-Hydroxyanthraquinone SCHEMBL28915874 0.80 MAOA (0.63) MAOAPKLRMAPTALDH1A1TSHR
Anthrarufin SCHEMBL29874705 0.80 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL29363946 0.80 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL187843 0.80 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL3190101 0.79 BCL2 (0.76) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL29406720 0.79 BCL2 (0.76) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL28419741 0.78 MAOA (0.95) MAOAMAPTALDH1A1TSHRTDP1

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-20240243319-A1 AQUEOUS ELECTROLYTE, SALTS USED THEREIN, AND REDOX FLOW BATTERY USING SAID AQUEOUS ELECTROLYTE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-18 US disclosed