SCHEMBL5225846

SCHEMBL5225846

COc1ccc(-c2cc(Oc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KEAP1 Q14145 1/20 0.43
XDH P47989 1/20 0.42
APP P05067 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
NPBWR1 P48145 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL5221905 0.88 APP (0.49) MAPTSMN1; SMN2XDHAPPNPC1
SCHEMBL5223322 0.80 BTK (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5226722 0.80 KMT2A (0.43) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10829168 0.77 NFE2L2 (0.61) NFE2L2MAPTSMN1; SMN2APPNPC1
SCHEMBL5225138 0.77 MEN1 (0.43) MAPTNPC1RAB9AALDH1A1ABCG2
SCHEMBL5224031 0.74 CNR1 (0.38) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5226694 0.74 KDM4E (0.43) NPC1KMT2A
SCHEMBL5223017 0.73 MAPT (0.39) MAPTSMN1; SMN2APPNPC1RAB9A
SCHEMBL5228063 0.73 KMT2A (0.40) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25386626 0.73 NFE2L2 (0.55) NFE2L2MAPTSMN1; SMN2KEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed