SCHEMBL7260874

SCHEMBL7260874

COc1ccc(NS(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
FABP4 P15090 1/20 0.51
MAPK1 P28482 2/20 0.49
GAA P10253 3/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.46
APEX1 P27695 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 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
SCHEMBL6992085 0.88 TSHR (0.54) TSHRFABP4MAPK1GAAPOLB
SCHEMBL11497995 0.86 LMNA (0.48) TSHRFABP4MAPK1GAAALDH1A1
SCHEMBL805216 0.80 POLB (0.51) TSHRPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12800015 0.80 POLB (0.51) TSHRPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL11368920 0.79 MAPT (0.57) TSHRPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12041039 0.79 MAPT (0.58) MAPK1GAAPOLBKDM4EALDH1A1
SCHEMBL19169291 0.78 CA1 (0.54) MAPK1GAAKDM4EALDH1A1LMNA
SCHEMBL7000380 0.78 ALDH1A1 (0.59) MAPK1POLBKDM4EALDH1A1LMNA
SCHEMBL28887863 0.76 LCK (0.49) TSHRPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL26106266 0.76 MEN1 (0.57) POLBKDM4EALDH1A1LMNAHPGD

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
US-3975434-A Processes of producing 2,5-disubstituted benzamides SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-08-17 US claimed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed
US-3975434-A Processes of producing 2,5-disubstituted benzamides SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-08-17 US disclosed