SCHEMBL6865449

SCHEMBL6865449

CCCCN(C(=O)Nc1ccc(O)cc1)S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTOR P42345 1/20 0.40
EGFR P00533 2/20 0.40
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL6866165 0.97 CA12 (0.48) CA12CA9ESR1ESR2MEN1
SCHEMBL7040342 0.93 CA12 (0.45) CA12CA9ESR1MAPTLMNA
SCHEMBL6868979 0.89 CA12 (0.44) CA12CA9MEN1KMT2ALMNA
SCHEMBL6868006 0.80 MTOR (0.46) CA12CA9LMNAMTORALDH1A1
SCHEMBL3454762 0.72 CA12 (0.55) CA12CA9MEN1KMT2AMAPT
SCHEMBL6866173 0.72 CA12 (0.51) CA12CA9MEN1KMT2AMAPT
SCHEMBL6865455 0.69 CA12 (0.49) CA12CA9MEN1KMT2AMAPT
SCHEMBL10765421 0.68 ALOX5 (0.67) CA12CA9ESR1ESR2MEN1
SCHEMBL6868990 0.68 ALDH1A1 (0.55) CA12CA9MEN1KMT2AMAPT
SCHEMBL7040350 0.68 CA12 (0.48) CA12CA9MEN1KMT2AMAPT

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-6806291-B1 2-(((4-HYDROXYPHENYL)CARBAMOYL)ALKYLSULFAMOYL)BENZOIC ACIDS; LIMITED HEPATOTOXIC EFFECT THE FOUNDATION FOR THE LSU HEALTH SCIENCES CENTER 2004-10-19 US disclosed