SCHEMBL9101398

SCHEMBL9101398

O=[N+]([O-])c1cccc(C2CCCCC2)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
PTGS2 P35354 1/20 0.39
GPR35 Q9HC97 1/20 0.39
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL2758377 0.83 PTGS2 (0.44) HSP90AA1PTGS2LMNAHTT
SCHEMBL1924933 0.81 PTGS2 (0.43) HSP90AA1KMT2AMEN1PTGS2ALDH1A1
SCHEMBL824145 0.79 GPR35 (0.56) HSP90AA1KMT2AMEN1GPR35SLC18A3
SCHEMBL7335158 0.78 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1PTGS2SLC18A3
SCHEMBL668582 0.78 GPR35 (0.56) KMT2AMEN1GPR35ALDH1A1SMN1; SMN2
SCHEMBL9101408 0.77 HSP90AA1 (0.43) HSP90AA1KMT2AMEN1PTGS2SLC18A3
SCHEMBL9099696 0.77 KMT2A (0.48) KMT2AMEN1GPR35ALDH1A1LMNA
SCHEMBL9099707 0.77 KMT2A (0.48) KMT2AMEN1GPR35ALDH1A1LMNA
SCHEMBL1065970 0.76 MEN1 (0.47) HSP90AA1KMT2AMEN1SLC18A3ALDH1A1
SCHEMBL28031898 0.76 GPR35 (0.54) KMT2AMEN1GPR35ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed