SCHEMBL7468366

SCHEMBL7468366

O=C(O)c1cc2ccccc2nc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
IKBKB O14920 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MGAM O43451 2/20 0.42
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.40
EIF4A1 P60842 1/20 0.40

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
SCHEMBL10339542 0.78 RAB9A (0.50) HTTATMMAPTALDH1A1IKBKB
SCHEMBL1682777 0.76 RAB9A (0.55) HTTATMMAPTALDH1A1RAB9A
SCHEMBL8807038 0.75 SMN1; SMN2 (0.56) MAPTALDH1A1IKBKBRAB9ANPC1
SCHEMBL2011679 0.75 KMT2A (0.50) HTTATMMAPTALDH1A1IKBKB
SCHEMBL14842175 0.75 ALDH1A1 (0.49) HTTATMMAPTALDH1A1RAB9A
SCHEMBL14179218 0.75 TDP1 (0.50) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL1369397 0.74 KMT2A (0.53) HTTATMMAPTALDH1A1RAB9A
SCHEMBL352221 0.74 IKBKB (0.51) MAPTALDH1A1IKBKBRAB9ANPC1
SCHEMBL31133499 0.74 IKBKB (0.51) MAPTALDH1A1IKBKBRAB9ANPC1
SCHEMBL30034075 0.74 ALDH1A1 (0.61) MAPTALDH1A1IKBKBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326330-B1 Quinoline fungicides DOW AGROSCIENCES LLC (US) 2002-07-24 EP disclosed
CN-1031263-C Quinoline, quinazoline, and cinnoline LILLY CO ELI (US) 1996-03-13 CN disclosed
US-5296484-A Applying fungicide to locus of plant pathogen DOWELANCO (US) 1994-03-22 US disclosed
US-5240940-A Synergistic nmixture DOWELANCO (US) 1993-08-31 US disclosed
US-5145843-A For plants DOWELANCO (US) 1992-09-08 US disclosed
CN-1034925-A Quinoline, quinazoline and cinnoline LILLY CO ELI (US) 1989-08-23 CN disclosed
CN-1034924-A quinoline, quinazoline and cinnoline derivatives LILLY CO ELI (US) 1989-08-23 CN disclosed
EP-0326328-A2 Quinoline, quinazoline, and cinnoline derivatives DowElanco (US) 1989-08-02 EP disclosed
EP-0326330-A2 Quinoline, quinazoline, and cinnoline fungicides DowElanco (US) 1989-08-02 EP disclosed