SCHEMBL5501099

SCHEMBL5501099

COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.COc1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.68
NPC1 O15118 10/20 0.67
RAB9A P51151 10/20 0.67
MAPT P10636 9/20 0.67
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.64
TP53 P04637 2/20 0.64
ALOX15 P16050 1/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.60
PKM P14618 2/20 0.59
HSP90AA1 P07900 1/20 0.59
PAX8 Q06710 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 3/20 0.59
THRB P10828 1/20 0.59
MITF O75030 1/20 0.58
APEX1 P27695 1/20 0.56

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
SCHEMBL2061754 0.93 ALOX5 (0.77) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL2633343 0.93 ALOX5 (0.77) ALOX5NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL9423776 0.92 ALOX5 (0.75) ALOX5NPC1RAB9AMAPTKMT2A
SCHEMBL1881120 0.89 KMT2A (0.71) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL1979717 0.89 KMT2A (0.71) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6816201 0.88 RAB9A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL11462217 0.88 RAB9A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL23898948 0.82 KMT2A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9134339 0.82 KMT2A (0.83) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8020422 0.82 ALDH1A1 (0.69) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768709-A1 A METHOD OF DIAGNOSING PRODROMAL FORMS OF DISEASES ASSOCIATED WITH AMYLOID DEPOSITION University of Pittsburgh (US) 2007-04-04 EP disclosed
WO-2006014382-A1 A METHOD OF DIAGNOSING PRODROMAL FORMS OF DISEASES ASSOCIATED WITH AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2006-02-09 WO disclosed
EP-1611115-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES University of Pittsburgh (US) 2006-01-04 EP disclosed
WO-2004083195-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES UNIVERSITY OF PITTSBURGH (US) 2004-09-30 WO disclosed