SCHEMBL8564974

SCHEMBL8564974

O=[N+]([O-])c1ncccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
COMT P21964 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
RAB9A P51151 2/20 0.41
MET P08581 2/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MDM4 O15151 1/20 0.39
NFKBIA P25963 1/20 0.39
MDM2 Q00987 1/20 0.39
RELA Q04206 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
PAX8 Q06710 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL5700032 0.82 PAX8 (0.42) ALDH1A1KMT2AMEN1RAB9AMET
SCHEMBL31028752 0.82 CA1 (0.50) ALDH1A1KMT2AMEN1RAB9AMET
SCHEMBL8562081 0.82 CA1 (0.50) ALDH1A1KMT2AMEN1RAB9AMET
SCHEMBL27444563 0.77 KMT2A (0.48) ALDH1A1KMT2AMEN1PKMOPRK1
SCHEMBL8561302 0.76 NT5E (0.41) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL27463580 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10KMT2AMEN1
SCHEMBL8597763 0.74 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1RAB9AMET
SCHEMBL8563296 0.74 ALDH1A1 (0.51) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL245234 0.73 MAPT (0.50) ALDH1A1KMT2AMEN1RAB9APKM
SCHEMBL30954607 0.73 MAPT (0.50) ALDH1A1KMT2AMEN1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101616933-B Novel anti-CD 38 antibodies for the treatment of cancer SANOFI AVENTIS 2015-06-10 CN disclosed
CN-101622276-B Antagonistic antibodies against EPHA2 for the treatment of cancer SANOFI AVENTIS 2015-04-22 CN disclosed
CN-101331400-B Methods for generating multimeric capture agents that bind ligands SHARP KK 2012-09-26 CN disclosed
CN-101317093-B Novel capture reagents for binding ligands SHARP KK 2012-09-19 CN disclosed
CN-102076717-A Crosslinking agents and their use IMMUNOGEN INC 2011-05-25 CN disclosed
CN-101622276-A Antagonistic antibodies against EPHA2 for the treatment of cancer SANOFI AVENTIS 2010-01-06 CN disclosed
CN-101616933-A Novel anti-CD 38 antibodies for the treatment of cancer SANOFI AVENTIS 2009-12-30 CN disclosed
CN-101331400-A A method of producing a multimeric capture agent for binding a ligand SHARP KK (JP) 2008-12-24 CN disclosed
CN-101317093-A Novel capture reagents for binding ligands SHARP KK (JP) 2008-12-03 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed