SCHEMBL9788644

SCHEMBL9788644

CCOC(OCC)(SP)c1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK1 P06493 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8879243 0.84 GAA (0.53) GAALMNAMAPTKDM4ECDK1
SCHEMBL11562116 0.83 GAA (0.58) GAALMNAMAPTCDK1TP53
SCHEMBL8874996 0.83 GAA (0.53) GAALMNAMAPTKDM4ECDK1
SCHEMBL10909263 0.80 GAA (0.52) GAACDK1KMT2ASMN1; SMN2MEN1
SCHEMBL10471505 0.77 GAA (0.42) GAALMNAMAPTKDM4ENPC1
SCHEMBL11639176 0.75 THRB (0.48) LMNAMAPTKDM4ENPC1ALDH1A1
SCHEMBL11275782 0.74 NPC1 (0.47) LMNANPC1ALDH1A1TP53KMT2A
SCHEMBL11043195 0.74 GAA (0.54) GAAMAPTCDK1TP53GLA
SCHEMBL9788628 0.74 CDK1 (0.42) GAALMNAMAPTCDK1TP53
SCHEMBL6906447 0.73 GAA (0.60) GAAMAPTKDM4ENPC1ALDH1A1

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
US-4992549-A Herbicidal compositions CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed