SCHEMBL8931202

SCHEMBL8931202

O=[N+]([O-])c1cccc(-c2nc3ccccc3s2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
Sulfurous Acid SCHEMBL27325827 0.94 APP (0.49) APPMMP2MMP9MMP8MMP13
SCHEMBL3053833 0.88 APP (0.60) APPMMP2MMP9MMP8MMP13
SCHEMBL5976385 0.85 RAB9A (0.56) APPMMP2MMP9MMP8MMP13
SCHEMBL11008435 0.82 KDM4E (0.58) APPMMP2MMP9MMP8MMP13
SCHEMBL18280700 0.81 APP (0.70) APPMMP2MMP9MMP8MMP13
SCHEMBL11366878 0.80 MGAM (0.40) APPMMP2MMP9MMP8MMP13
SCHEMBL3051474 0.76 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL13806246 0.76 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL2192089 0.76 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL29131669 0.75 MMP13 (0.51) APPMMP2MMP9MMP8MMP13

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-0572720-B1 A process for preparing thermoplastic resin compositions with excellent hydrochlorofluorocarbon resistance LUCKY LTD (KR) 1997-04-16 EP claimed