SCHEMBL11197868

SCHEMBL11197868

Nc1cc([S+]([O-])c2ccc(Br)cc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.39
MAPT P10636 4/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 9/20 0.38
ALOX15 P16050 8/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 4/20 0.38
ALOX12 P18054 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
THRB P10828 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 2/20 0.35
USP2 O75604 2/20 0.35

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
SCHEMBL1683994 0.89 GAA (0.47) GAAMAPTCA2CA12CA1
SCHEMBL11191085 0.85 GAA (0.41) GAAMAPTCA2CA12CA1
SCHEMBL11195200 0.84 ALDH1A1 (0.48) GAAMAPTCA2CA12CA1
SCHEMBL11197229 0.82 GAA (0.39) GAAMAPTCA2CA12CA1
SCHEMBL11190173 0.82 ALDH1A1 (0.57) GAAMAPTCA2CA12CA1
SCHEMBL11195512 0.82 GAA (0.39) GAAMAPTCA2CA12CA1
SCHEMBL11193057 0.82 ALDH1A1 (0.57) GAAMAPTCA2CA12CA1
SCHEMBL9808936 0.79 MEN1 (0.40) GAAMAPTCA2CA12CA9
SCHEMBL11194552 0.78 TRPA1 (0.43) GAAMAPTCA2CA12CA1
SCHEMBL11196257 0.78 ALDH1A1 (0.61) GAAMAPTCA2CA12CA1

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
EP-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 EP disclosed