SCHEMBL8099282

SCHEMBL8099282

O=[N+]([O-])c1cccc(O)c1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
MAPT P10636 6/20 0.46
CASP6 P55212 2/20 0.46
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CTSB P07858 2/20 0.45

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
SCHEMBL4150422 0.88 PDE10A (0.53) GPR35MAPTPOLBPDE10AALDH1A1
SCHEMBL30117516 0.88 PDE10A (0.53) GPR35MAPTPOLBPDE10AALDH1A1
SCHEMBL6280266 0.80 GPR35 (0.67) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11224715 0.79 F12 (0.52) MAPTPDE10AALDH1A1SMN1; SMN2RAB9A
SCHEMBL25267273 0.78 KDM4E (0.59) MAPTPOLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL4146640 0.77 ALDH1A1 (0.50) MAPTPOLBPDE10AALDH1A1LMNA
SCHEMBL444702 0.76 ALDH1A1 (0.53) MAPTPOLBPDE10AALDH1A1RAB9A
SCHEMBL7769469 0.76 GPR35 (0.56) GPR35CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6974757 0.75 AURKB (0.50) GPR35MAPTCASP6ALDH1A1SMN1; SMN2
SCHEMBL16387910 0.75 PDE10A (0.50) MAPTPOLBPDE10AALDH1A1RAB9A

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-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed