SCHEMBL8700191

SCHEMBL8700191

O=C(C=Cc1ccco1)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.61
POLB P06746 8/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
MASP2 O00187 1/20 0.51
F2 P00734 1/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 4/20 0.51
NPC1 O15118 3/20 0.51
BLM P54132 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL4729075 0.78 HCAR2 (0.69) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL979497 0.77 HCAR2 (0.74) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL7142763 0.77 HCAR2 (0.74) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL979495 0.77 HCAR2 (0.74) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL16740542 0.77 POLB (0.71) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL31692632 0.77 HCAR2 (0.67) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL125126 0.76 HCAR2 (1.00) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL8763706 0.76 HCAR2 (0.71) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL125125 0.76 HCAR2 (1.00) HCAR2POLBKMT2AMEN1MAPT
SCHEMBL2561722 0.76 HCAR2 (1.00) HCAR2POLBKMT2AMEN1MAPT

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
WO-1998041520-A1 A PROCESS FOR THE PREPARATION OF FURAZIDIN ADAMED SP. Z O.O. (PL) 1998-09-24 WO disclosed
US-4066387-A METHOD OF IMPROVING THE SORPTION CAPACITY OF POLYMERS THE STATE OF ISRAEL MINISTRY OF COMMERCE AND INDUSTRY (IL) 1978-01-03 US disclosed