SCHEMBL6659564

SCHEMBL6659564

O=[N+]([O-])c1ccc(-c2nc3c(Cl)cncc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.53
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
MMP13 P45452 3/20 0.53
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 7/20 0.46
MCL1 Q07820 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
NOTUM Q6P988 1/20 0.43
RECQL P46063 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL4783796 0.78 SMN1; SMN2 (0.47) NPC1RAB9AMAPTATMMEN1
SCHEMBL221808 0.75 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5349645 0.73 MMP2 (0.47) MMP2MMP9MMP8MMP13NPC1
SCHEMBL220044 0.72 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL25391210 0.71 MMP2 (0.55) MMP2MMP9MMP8MMP13NPC1
SCHEMBL21777068 0.71 MMP2 (0.62) MMP2MMP9MMP8MMP13NPC1
SCHEMBL31474762 0.70 MMP2 (0.66) MMP2MMP9MMP8MMP13NPC1
SCHEMBL208169 0.70 PARP1 (0.57) MMP2MMP9MMP8MMP13NPC1
SCHEMBL10943282 0.70 RAB9A (0.83) MMP2MMP9MMP8MMP13NPC1
SCHEMBL2246922 0.70 MMP2 (1.00) MMP2MMP9MMP8MMP13NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390371-A1 OXAZOLO-AND FUROPYRIMIDINES AND THEIR USE IN MEDICAMENTS AGAINST TUMORS Novartis AG (CH) 2004-02-25 EP disclosed
WO-2002092603-A1 OXAZOLO-AND FUROPYRIMIDINES AND THEIR USE IN MEDICAMENTS AGAINST TUMORS NOVARTIS AG (CH) 2002-11-21 WO disclosed