SCHEMBL4764057

SCHEMBL4764057

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 5/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
VCAM1 P19320 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL9725444 0.75 PIK3CD (0.47) ALDH1A1KDM4EHTTHCAR3SMN1; SMN2
SCHEMBL6013576 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHCAR3KMT2AMEN1
SCHEMBL9725432 0.74 SMN1; SMN2 (0.61) ALDH1A1KDM4EHTTHCAR3SMN1; SMN2
SCHEMBL9980399 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHTTHCAR3SMN1; SMN2
SCHEMBL9725472 0.71 TSHR (0.47) ALDH1A1KDM4EHTTHCAR3GAA
SCHEMBL3999307 0.68 VCAM1 (0.68) ALDH1A1VCAM1
SCHEMBL1959419 0.68 SMN1; SMN2 (0.62) ALDH1A1KDM4EHTTHCAR3SMN1; SMN2
SCHEMBL9725392 0.68 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL20642265 0.67 CA1 (0.52) ALDH1A1KDM4EHTTHCAR3LMNA
SCHEMBL3999400 0.67 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2LMNAKMT2A

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-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed