SCHEMBL9225403

SCHEMBL9225403

CN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 6/20 0.62
GAA P10253 4/20 0.62
LMNA P02545 6/20 0.62
MAPT P10636 5/20 0.60
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 5/20 0.57
TDP1 Q9NUW8 4/20 0.57
MAPK1 P28482 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL14576206 0.82 KMT2A (0.62) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL3622325 0.81 VCAM1 (0.76) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL9225412 0.80 KDM4E (0.55) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL8854767 0.80 ALDH1A1 (0.67) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL15646636 0.80 ALDH1A1 (0.67) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL17841231 0.80 LMNA (0.76) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL29483590 0.80 LMNA (0.76) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL29483577 0.80 LMNA (0.76) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL20380049 0.77 ALDH1A1 (0.63) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL20379393 0.77 ALDH1A1 (0.63) KMT2AALDH1A1GAALMNAMAPT

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
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed