SCHEMBL7833210

SCHEMBL7833210

COc1cccc(NNc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
MAPT P10636 5/20 0.64
HTT P42858 2/20 0.64
MAPK1 P28482 1/20 0.64
TRPV1 Q8NER1 1/20 0.58
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
CLK1 P49759 1/20 0.57
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
DDX3X O00571 1/20 0.51

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
SCHEMBL5468622 0.91 AKR1C3 (0.64) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL31254103 0.85 KMT2A (0.87) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL28342284 0.85 KMT2A (0.87) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL515302 0.85 LMNA (0.61) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL30059246 0.85 LMNA (0.61) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL28218708 0.85 LMNA (0.61) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL28090002 0.83 NFE2L2 (0.59) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL30612688 0.83 NFE2L2 (0.59) KMT2AMEN1MAPTHTTMAPK1
Nitrogen SCHEMBL8501917 0.82 NFE2L2 (0.58) KMT2AMEN1MAPTHTTMAPK1
Methylamine SCHEMBL11814441 0.82 NFE2L2 (0.58) KMT2AMEN1MAPTHTTMAPK1

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
EP-0946556-A4 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-0946556-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed