SCHEMBL2008245

SCHEMBL2008245

NCCc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
NPC1 O15118 1/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL28068351 0.90 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL11622455 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL9420470 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL9420573 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL6304897 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL6304900 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL3387313 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL2557500 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL28428327 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL27882095 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960181-B2 Chromoionophore and method of determining potassium ions OPTI MEDICAL SYSTEMS (US) 2011-06-14 US disclosed
WO-2007131042-A2 CHROMOIONOPHORE AND METHOD OF DETERMINING POTASSIUM IONS OPTI MEDICAL SYSTEMS, INC (US) 2007-11-15 WO disclosed
US-20070259443-A1 CHROMOIONOPHORE AND METHOD OF DETERMINING POTASSIUM IONS OPTI MEDICAL SYSTEMS, INC. 2007-11-08 US disclosed