SCHEMBL12591986

SCHEMBL12591986

O=c1[nH]c(-c2ccccc2O)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 6/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
TNKS O95271 2/20 0.55
TNKS2 Q9H2K2 2/20 0.55
NLRP3 Q96P20 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
NPBWR1 P48145 4/20 0.52
PARP1 P09874 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL31399890 0.85 GUSB (0.61) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL30397301 0.84 NPBWR1 (0.73) KDM4ENPBWR1MAPTNPC1RAB9A
SCHEMBL2245293 0.84 NPBWR1 (0.73) KDM4ENPBWR1MAPTNPC1RAB9A
SCHEMBL2991045 0.83 TNKS (0.73) GUSBHPGDTNKSTNKS2NLRP3
SCHEMBL2250346 0.82 NPBWR1 (0.60) KDM4ENPBWR1MAPTNPC1RAB9A
SCHEMBL2685097 0.80 GUSB (0.70) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL12591987 0.80 GUSB (0.70) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL11243512 0.80 GUSB (0.70) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL4090569 0.80 GUSB (0.70) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL30665826 0.79 TNKS (0.75) GUSBHPGDTNKSTNKS2NLRP3

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
US-20110117659-A1 QUINAZOLINE-CONTAINING KITS FOR LABELING ALDEHYDE OR KETONE MOIETIES Life Technologies Corporation (US) 2011-05-19 US disclosed
US-20110117659-A1 QUINAZOLINE-CONTAINING KITS FOR LABELING ALDEHYDE OR KETONE MOIETIES Life Technologies Corporation (US) 2011-05-19 US disclosed
US-7816527-B2 Quinazoline-containing kits for labeling aldehyde or ketone moieties Life Technologies Corporation (US) 2010-10-19 US disclosed
US-7816527-B2 Quinazoline-containing kits for labeling aldehyde or ketone moieties Life Technologies Corporation (US) 2010-10-19 US disclosed