SCHEMBL8970512

SCHEMBL8970512

CCOC(=O)C[n+]1ccc(C)cc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
FKBP1A P62942 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
GLO1 Q04760 1/20 0.43
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PPARG P37231 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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

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 0.93 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8260641 0.80 MAPT (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
Bromide SCHEMBL5782120 0.79 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
Nitrobenzene SCHEMBL8971309 0.78 HPGD (0.48) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8970492 0.77 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17443310 0.76 GAA (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL27682339 0.75 FKBP1A (0.55) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9464174 0.75 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTFKBP1A
SCHEMBL8971015 0.75 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8971275 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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 10 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
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP claimed
US-5196538-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US claimed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS 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
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP disclosed
US-5196538-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US disclosed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed