SCHEMBL9818537

SCHEMBL9818537

Nc1ccc(-c2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.47
GNB1 P62873 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
NT5E P21589 1/20 0.47
TTR P02766 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
CASP6 P55212 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
SCHEMBL15849847 0.84 PTGS2 (0.47) HSD17B10ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL8597480 0.84 PTGS2 (0.47) HSD17B10ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL1271134 0.84 GAA (0.50) HSD17B10CYP2C9ALDH1A1TSHRTDP1
SCHEMBL232659 0.84 CASP1 (0.47) HSD17B10ALDH1A1TSHRTTRSMN1; SMN2
SCHEMBL29743050 0.84 CASP1 (0.47) HSD17B10ALDH1A1TSHRTTRSMN1; SMN2
SCHEMBL890902 0.82 ABL1 (0.48) MAPTGAAF10NPC1MAPK1
SCHEMBL890792 0.82 CA1 (0.52) HSD17B10CYP2C9TSHRTDP1CYP3A4
SCHEMBL5320291 0.82 TSHR (0.52) ALDH1A1TSHRNT5ETDP1POLB
SCHEMBL30940556 0.82 CA1 (0.52) HSD17B10CYP2C9TSHRTDP1CYP3A4
Lithium SCHEMBL3173875 0.82 CASP1 (0.46) HSD17B10ALDH1A1TSHRTTRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114985009-A Preparation method and application of catalyst for converting saccharides into 2, 5-dimethylfuran 南昌大学 2022-09-02 CN disclosed
WO-2014072877-A2 GRAPHENE BASED SCREEN-PRINTABLE INK AND ITS USE IN SUPERCAPACITORS BASF SE (DE) 2014-05-15 WO disclosed
EP-0421927-A2 Preparation process of mono- and polyazo-dyes CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed