SCHEMBL8970492

SCHEMBL8970492

O=C(C[n+]1ccccc1)Oc1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 5/20 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

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
SCHEMBL8971555 0.85 KMT2A (0.48) KMT2AMAPTSMN1; SMN2GAAHTT
SCHEMBL9462494 0.79 KMT2A (0.41) KMT2AMAPTHTTALDH1A1CA2
SCHEMBL8971015 0.78 ALDH1A1 (0.48) KMT2AMAPTSMN1; SMN2GAAHTT
SCHEMBL8970512 0.77 KMT2A (0.47) KMT2AMAPTSMN1; SMN2GAAHTT
SCHEMBL9464061 0.77 MAPT (0.48) KMT2AMAPTSMN1; SMN2GAAHTT
SCHEMBL9464174 0.76 KMT2A (0.43) KMT2AMAPTSMN1; SMN2GAAHTT
Hydrogen Peroxide SCHEMBL11415144 0.75 KMT2A (0.68) KMT2AGAAHTTALDH1A1CA2
SCHEMBL8971369 0.75 KDM4E (0.46) KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10515655 0.72 KMT2A (0.72) KMT2AGAAHTTALDH1A1CA2
Potassium Ion SCHEMBL10474224 0.72 KMT2A (0.72) KMT2AGAAHTTALDH1A1CA2

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
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP claimed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP disclosed
US-5196538-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US disclosed