SCHEMBL7737869

SCHEMBL7737869

CN(C(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CTSD P07339 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7761933 0.82 ALDH1A1 (0.58) ALDH1A1CTSDKDM4EMAPTLMNA
SCHEMBL18992044 0.78 ALDH1A1 (0.53) ALDH1A1CTSDTDP1KDM4EMAPT
Hydrochloric Acid SCHEMBL11687297 0.76 ALDH1A1 (0.51) ALDH1A1CTSDKDM4EMAPTLMNA
SCHEMBL9135346 0.76 ATM (0.57) ALDH1A1CTSDKDM4EMAPTLMNA
SCHEMBL11687293 0.76 ALDH1A1 (0.51) ALDH1A1CTSDKDM4EMAPTLMNA
Trimethylammonium SCHEMBL28659606 0.75 TSHR (0.64) ALDH1A1CTSDTDP1KDM4EMAPT
SCHEMBL30422881 0.73 ALDH1A1 (0.65) ALDH1A1CTSDTDP1KDM4EMAPT
SCHEMBL1831959 0.73 ALDH1A1 (0.65) ALDH1A1CTSDTDP1KDM4EMAPT
SCHEMBL18301369 0.73 ALDH1A1 (0.51) ALDH1A1CTSDTDP1KDM4EMAPT
SCHEMBL10778076 0.73 ALDH1A1 (0.51) ALDH1A1CTSDTDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413927-B1 COATING WITH OLIGOMER SACCHARIDE SOLVAY (SOCIETE ANONYME) (BE) 2002-07-02 US disclosed
EP-1007474-B1 PROCESS FOR STABILISING PARTICULATE ALKALI METAL PERCARBONATE SOLVAY (BE) 2001-10-17 EP disclosed
EP-1007474-A1 PROCESS FOR STABILISING PARTICULATE ALKALI METAL PERCARBONATE SOLVAY (Société Anonyme) (BE) 2000-06-14 EP disclosed
EP-0565017-B1 Liquid bleach and detergent compositions SOLVAY INTEROX LTD (GB) 1999-07-07 EP disclosed
WO-1999006321-A1 PROCESS FOR STABILISING PARTICULATE ALKALI METAL PERCARBONATE SOLVAY (SOCIETE ANONYME) (BE) 1999-02-11 WO disclosed
US-5458802-A Sodium superborate SOLVAY INTEROX LIMITED (GB) 1995-10-17 US disclosed
EP-0565017-A2 Liquid bleach and detergent compositions SOLVAY INTEROX LIMITED (GB) 1993-10-13 EP disclosed