SCHEMBL7366348

SCHEMBL7366348

Cc1ccc(S(=O)(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
NPBWR1 P48145 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSP90AA1 P07900 1/20 0.48
CXCR5 P32302 1/20 0.48
APLNR P35414 1/20 0.48
CCR6 P51684 1/20 0.48
GFER P55789 1/20 0.48
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44

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
SCHEMBL10466630 0.80 ALDH1A1 (0.51) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL4006935 0.80 ALDH1A1 (0.51) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL16134487 0.80 L3MBTL1 (0.54) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL10465038 0.80 ALDH1A1 (0.46) KMT2AALDH1A1RAB9ANPBWR1MEN1
Hydrochloric Acid SCHEMBL6534097 0.79 ALDH1A1 (0.50) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL13856173 0.77 NPBWR1 (0.80) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL4328210 0.77 ALDH1A1 (0.58) KMT2AALDH1A1RAB9ANPBWR1MEN1
SCHEMBL6756159 0.76 L3MBTL1 (0.57) KMT2AALDH1A1RAB9AMEN1MAPT
SCHEMBL10466098 0.76 KDM4E (0.47) KMT2AALDH1A1NPBWR1MEN1MAPT
SCHEMBL3730122 0.74 ALDH1A1 (0.50) KMT2AALDH1A1RAB9ANPBWR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed