SCHEMBL9655472

SCHEMBL9655472

O=[N+]([O-])c1cc([N+](=O)O)ccc1OS(=O)(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HSPB1 P04792 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.41
GPR35 Q9HC97 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTR P02766 3/20 0.41
CYP1A2 P05177 2/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL9655475 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL9655460 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL6041199 0.74 CA1 (0.41) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL27527530 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL8616810 0.71 HSPB1 (0.51) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL18218196 0.71 TDP1 (0.74) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL866412 0.71 CA2 (0.47) ALDH1A1HPGDSMN1; SMN2LMNA
Sulfuric Acid SCHEMBL30951749 0.70 MEN1 (0.54) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL16859704 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2AHSPB1MAPT

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