SCHEMBL406467

SCHEMBL406467

O=[N+]([O-])c1ccc2[c]n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
CYP3A4 P08684 2/20 0.50
NOS1 P29475 2/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 1/20 0.50
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
POLB P06746 2/20 0.46
MAOB P27338 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
DAO P14920 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL2980594 0.88 MAPT (0.51) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL649172 0.70 CYP3A4 (0.49) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL3887990 0.67 CYP3A4 (0.57) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL29394925 0.67 MAPT (1.00) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL271522 0.67 MAPT (1.00) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL29993384 0.66 PARP1 (0.73) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL6008297 0.66 PARP1 (0.73) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL11819338 0.66 CYP3A4 (0.56) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL921416 0.66 DAO (0.51) MAPTCYP3A4NOS1LMNAALOX15
SCHEMBL30833662 0.66 DAO (0.51) MAPTCYP3A4NOS1LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484550-B Sphaelactone derivative and preparation method and application thereof 中国人民解放军第四军医大学 2020-04-07 CN disclosed
US-8361627-B2 Anti-corrosion layer for aluminum and magnesium alloys EADS DEUTSCHLAND GMBH (DE) 2013-01-29 US disclosed
US-20120021232-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-01-26 US disclosed
EP-2379623-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS EADS Deutschland GmbH (DE) 2011-10-26 EP disclosed
WO-2010081757-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS EADS DEUTSCHLAND GMBH (DE) 2010-07-22 WO disclosed