SCHEMBL9464174

SCHEMBL9464174

CC(=O)OCC[n+]1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA5A P35218 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41

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
SCHEMBL9464061 0.87 MAPT (0.48) KMT2AGAAHTTPOLBCA2
SCHEMBL9465079 0.84 MAPT (0.46) KMT2AGAAHTTPOLBCA2
SCHEMBL8971015 0.83 ALDH1A1 (0.48) KMT2AGAAHTTPOLBCA2
SCHEMBL8971555 0.80 KMT2A (0.48) KMT2AGAAHTTCA2CA1
Acetic Acid SCHEMBL10916469 0.77 KMT2A (0.62) KMT2AGAAHTTPOLBTDP1
SCHEMBL9460822 0.77 MAPT (0.42) KMT2AGAAHTTPOLBTDP1
SCHEMBL12237317 0.77 KMT2A (0.51) KMT2AGAAHTTPOLBTDP1
SCHEMBL8970492 0.76 KMT2A (0.46) KMT2AGAAHTTCA2CA1
SCHEMBL8970512 0.75 KMT2A (0.47) KMT2AGAAHTTPOLBCA2
Hydrogen Peroxide SCHEMBL11415144 0.75 KMT2A (0.68) KMT2AGAAHTTCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212035-A Ester containing pyridinium group EASTMAN KODAK COMPANY (US) 1993-05-18 US claimed
WO-1993002054-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
US-5212035-A Ester containing pyridinium group EASTMAN KODAK COMPANY (US) 1993-05-18 US disclosed
US-5196539-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US disclosed