SCHEMBL9655475

SCHEMBL9655475

O=[N+]([O-])c1ccc(OS(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GPR35 Q9HC97 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HSPB1 P04792 3/20 0.51
MAPT P10636 3/20 0.51
TTR P02766 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HIF1A Q16665 2/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.46

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
SCHEMBL9655466 1.00 ALDH1A1 (0.51) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL9655460 0.86 ALDH1A1 (0.54) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL9000088 0.86 HTT (0.46) ALDH1A1MAPK1HPGDTSHRSMN1; SMN2
SCHEMBL2967258 0.83 GPR35 (0.51) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL22578674 0.82 TDP1 (0.61) ALDH1A1GPR35TSHRMEN1KMT2A
SCHEMBL27527530 0.82 ALDH1A1 (0.50) ALDH1A1GPR35MAPK1TP53HPGD
Sulfuric Acid SCHEMBL30951749 0.82 MEN1 (0.54) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL29126214 0.80 GPR35 (0.51) ALDH1A1GPR35MAPK1TP53HPGD
SCHEMBL5690779 0.80 HTT (0.60) ALDH1A1GPR35TSHRMEN1KMT2A
SCHEMBL10775779 0.80 ALDH1A1 (0.50) ALDH1A1TP53SMN1; SMN2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226516-B1 AMIDE DERIVATIVES AND ANTIALLERGIC AGENTS CONTAINING THE SAME TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1992-07-29 EP disclosed
US-4906631-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1990-03-06 US disclosed
US-4859673-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
US-4795752-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1989-01-03 US disclosed
EP-0244319-A2 Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-11-04 EP disclosed
EP-0226516-A2 Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-06-24 EP disclosed