SCHEMBL17898263

SCHEMBL17898263

Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 15/20 1.00
NPC1 O15118 7/20 1.00
MAPT P10636 7/20 1.00
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
HTT P42858 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
NFKB1 P19838 3/20 1.00
NFKB2 Q00653 3/20 1.00
RELA Q04206 3/20 1.00
ALDH1A1 P00352 2/20 1.00
MAPK1 P28482 2/20 1.00
MMP2 P08253 3/20 0.85
MMP9 P14780 3/20 0.85
MMP8 P22894 3/20 0.85
MMP13 P45452 3/20 0.85
CASP3 P42574 2/20 0.84
SENP8 Q96LD8 2/20 0.84
SENP7 Q9BQF6 2/20 0.84

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
SCHEMBL20982761 0.93 NPC1 (0.97) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6326719 0.92 MMP2 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20982700 0.91 NPC1 (0.94) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5566191 0.91 NPC1 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13856173 0.89 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2247663 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3183544 0.86 NPC1 (0.84) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10117321 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31049578 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL17898258 0.86 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9ASMN1; 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 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