SCHEMBL5221905

SCHEMBL5221905

COc1ccc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
XDH P47989 1/20 0.46
GSK3B P49841 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 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
SCHEMBL5225846 0.88 NFE2L2 (0.45) APPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5226722 0.87 KMT2A (0.43) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5223322 0.81 BTK (0.50) MAPTSMN1; SMN2LMNAL3MBTL1THRB
SCHEMBL5226694 0.80 KDM4E (0.43) KMT2ANPC1USP2KDM4E
SCHEMBL5223318 0.77 KDM1A (0.48) MAPTMEN1KMT2ATHRBGSK3B
SCHEMBL5228063 0.76 KMT2A (0.40) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5224031 0.75 CNR1 (0.38) MAPTKMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL3974325 0.74 APP (0.74) APPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL177626 0.74 HSPB1 (0.66) APPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2455303 0.74 APP (0.74) APPMAPTMEN1KMT2ASMN1; SMN2

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