SCHEMBL3345978

SCHEMBL3345978

CC(C)(C)OC(=O)NCCN(Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
BCHE P06276 2/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL7835874 0.79 CKS1B (0.37) CKS1BSKP1SKP2NPSR1IDO1
SCHEMBL6682212 0.78 NQO2 (0.53) NPSR1IDO1ALDH1A1HTTKMT2A
SCHEMBL30408678 0.78 NQO2 (0.53) NPSR1IDO1ALDH1A1HTTKMT2A
SCHEMBL14476195 0.77 MEN1 (0.52) CKS1BSKP1SKP2MALT1ALDH1A1
SCHEMBL17563564 0.76 SNCA (0.42) CKS1BSKP1SKP2ALDH1A1KMT2A
SCHEMBL29655446 0.76 NPC1 (0.59) MALT1ALDH1A1HTTBCHEMAPT
SCHEMBL2982740 0.76 NPC1 (0.59) MALT1ALDH1A1HTTBCHEMAPT
SCHEMBL4371396 0.76 KMT2A (0.45) ALDH1A1HTTCA1CA2KMT2A
SCHEMBL10199951 0.75 NPSR1 (0.45) NPSR1ALDH1A1HTTMAPTKMT2A
SCHEMBL890852 0.75 BCHE (0.40) IDO1ALDH1A1BCHEMAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed