SCHEMBL10669752

SCHEMBL10669752

O=[N+]([O-])c1cc(S(=O)(=O)CCO)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.63
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA9 Q16790 4/20 0.63
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL10914121 0.87 CA2 (0.50) CA2CA12CA1CA9ALDH1A1
SCHEMBL9574410 0.84 CA2 (0.49) CA2CA12CA1CA9MAPK1
SCHEMBL532862 0.83 CA12 (0.67) CA2CA12CA1CA9MAPK1
SCHEMBL9404105 0.83 VCAM1 (0.63) ALDH1A1VCAM1
SCHEMBL10607669 0.83 CA2 (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL5674107 0.82 CA2 (0.56) CA2CA12CA1CA9MAPK1
SCHEMBL9496798 0.79 CA2 (0.51) CA2CA12CA1CA9MAPK1
SCHEMBL31080938 0.79 CA12 (0.76) CA2CA12CA1CA9MAPK1
SCHEMBL69006 0.79 CA12 (0.76) CA2CA12CA1CA9MAPK1
SCHEMBL9878546 0.79 CA2 (0.41) CA2CA12CA1CA9ALDH1A1

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-4760134-A Process for the preparation of the copper complex disazo compounds from disazo compounds containing an O'-alkoxyaniline group by coppering dimethylation at a pH at about 3-6 HOECHST CELANESE CORPORATION (US) 1988-07-26 US disclosed