SCHEMBL8971256

SCHEMBL8971256

O=C(C[n+]1cccc(Cl)c1)Oc1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
ATM Q13315 3/20 0.35
PABPC1 P11940 2/20 0.35
CYP19A1 P11511 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
ELANE P08246 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8971108 0.92 ATM (0.39) ALDH1A1KDM4ELMNAKMT2AATM
SCHEMBL8971369 0.75 KDM4E (0.46) ALDH1A1KDM4EKMT2AATMPABPC1
SCHEMBL8971260 0.73 KMT2A (0.46) ALDH1A1KDM4ELMNANPSR1HSD17B10
SCHEMBL8968502 0.67 GLA (0.44) ALDH1A1KDM4ELMNANPSR1HSD17B10
Chlorobenzene SCHEMBL28289913 0.65 ELANE (0.62) KDM4ELMNAKMT2ACYP19A1HTT
Bromide SCHEMBL11490662 0.63 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAKMT2AATM
SCHEMBL137047 0.61 CYP19A1 (0.52) ALDH1A1KDM4ELMNANPSR1HSD17B10
Chlorobenzene SCHEMBL6386765 0.61 TSHR (0.50) ALDH1A1KDM4ELMNANPSR1HSD17B10
SCHEMBL43742 0.61 KMT2A (0.61) ALDH1A1KDM4ELMNAHSD17B10KMT2A
SCHEMBL153387 0.61 CYP19A1 (0.55) ALDH1A1KDM4ELMNAHSD17B10KMT2A

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 9 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-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