SCHEMBL11458445

SCHEMBL11458445

CCCCCCCCCCCCN(c1ncccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 3/20 0.45
PTGES O14684 2/20 0.45
ESR1 P03372 1/20 0.44
VCAM1 P19320 2/20 0.43
NR1I2 O75469 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TXNRD1 Q16881 1/20 0.39

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
SCHEMBL11458436 0.82 NR1I2 (0.47) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11483447 0.81 MAPT (0.55) MEN1KMT2ARAB9AALOX5PTGES
SCHEMBL11358377 0.79 TDP1 (0.54) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11364992 0.79 TDP1 (0.54) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11355963 0.78 ALDH1A1 (0.60) KMT2AALOX5PTGESESR1NR1I2
SCHEMBL14229389 0.74 AGTR1 (0.47) MEN1KMT2ARAB9AVCAM1CYP2C9
SCHEMBL11472114 0.73 TSHR (0.50) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11467633 0.73 TSHR (0.50) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11468790 0.73 TSHR (0.50) MEN1KMT2AALOX5PTGESESR1
SCHEMBL11471689 0.73 TSHR (0.50) MEN1KMT2AALOX5PTGESESR1

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-4210759-A STRIPPING METAL VALUES FROM HYDROCARBON SOLVENTS HENKEL CORPORATION (US) 1980-07-01 US claimed