SCHEMBL9616587

SCHEMBL9616587

O=c1nc(-c2cccc([N+](=O)[O-])c2)oc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ELANE P08246 1/20 0.67
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
PSMB8 P28062 1/20 0.54
GABRP O00591 3/20 0.52
GABRD O14764 3/20 0.52
GABRA1 P14867 3/20 0.52
GABRB1 P18505 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA5 P31644 3/20 0.52
GABRA3 P34903 3/20 0.52
GABRA2 P47869 3/20 0.52
GABRB2 P47870 3/20 0.52

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
SCHEMBL8208492 0.85 MMP2 (0.69) MEN1KMT2AELANERAB9ANPC1
SCHEMBL7576359 0.84 NPC1 (0.49) MEN1KMT2AELANERAB9ANPC1
SCHEMBL2491306 0.83 MMP2 (0.72) MEN1KMT2AELANERAB9ANPC1
SCHEMBL692321 0.80 KMT2A (1.00) MEN1KMT2AELANERAB9ANPC1
SCHEMBL29633854 0.80 KMT2A (1.00) MEN1KMT2AELANERAB9ANPC1
SCHEMBL3137128 0.78 RAB9A (0.82) MEN1KMT2AELANERAB9ANPC1
SCHEMBL7921287 0.78 RAB9A (0.82) MEN1KMT2AELANERAB9ANPC1
SCHEMBL7869611 0.77 NPC1 (0.51) MEN1KMT2AELANERAB9ANPC1
SCHEMBL30025603 0.77 ELANE (0.58) MEN1KMT2AELANERAB9ANPC1
SCHEMBL4029088 0.77 ELANE (0.58) MEN1KMT2AELANERAB9ANPC1

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
EP-0502013-A1 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS. BASF AG (DE) 1992-09-09 EP disclosed