SCHEMBL17898258

SCHEMBL17898258

O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 1.00
NPC1 O15118 7/20 0.84
MAPT P10636 7/20 0.84
RAB9A P51151 7/20 0.84
HTT P42858 5/20 0.84
MMP2 P08253 3/20 0.84
MMP9 P14780 3/20 0.84
MMP8 P22894 3/20 0.84
MMP13 P45452 3/20 0.84
CASP3 P42574 2/20 0.84
SENP8 Q96LD8 2/20 0.84
SENP7 Q9BQF6 2/20 0.84
SENP6 Q9GZR1 2/20 0.84
SMN1; SMN2 Q16637 6/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
NFKB1 P19838 3/20 0.76
NFKB2 Q00653 3/20 0.76
RELA Q04206 3/20 0.76
ALDH1A1 P00352 2/20 0.76

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
SCHEMBL31049578 1.00 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL20982761 0.93 NPC1 (0.97) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL5566191 0.91 NPC1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL20982700 0.91 NPC1 (0.94) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL12470997 0.90 NPBWR1 (0.82) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL17898273 0.86 NPBWR1 (0.76) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL3183544 0.86 NPC1 (0.84) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL2247663 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL17898263 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL10117321 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT

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
US-9387198-B1 Inhibitors of advanced glycation end-products (ages)formation JAHAN HUMERA (PK) 2016-07-12 US claimed
US-9387198-B1 Inhibitors of advanced glycation end-products (ages)formation JAHAN HUMERA (PK) 2016-07-12 US disclosed