SCHEMBL4413637

SCHEMBL4413637

C=CCc1cccc[n+]1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
HDAC8 Q9BY41 1/20 0.32
XDH P47989 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8633170 0.75 ALDH1A1 (0.44) GABRA1GABRB2HDAC8KDM4EMEN1
SCHEMBL587213 0.75 HDAC8 (0.50) HDAC8KDM4EMEN1ALDH1A1MAPT
SCHEMBL362206 0.75 HDAC8 (0.32) GABRA1GABRB2HDAC8
SCHEMBL1038673 0.73 KDM4E (0.41) HDAC8KDM4E
Bromide SCHEMBL440497 0.73 HDAC8 (0.48) HDAC8KDM4EMEN1ALDH1A1MAPT
Iodide SCHEMBL9773064 0.73 HDAC8 (0.31) HDAC8
Hydrochloric Acid SCHEMBL2005070 0.73 HDAC8 (0.48) HDAC8KDM4EMEN1ALDH1A1MAPT
SCHEMBL4701353 0.72 HDAC8 (0.31) HDAC8
Bromide SCHEMBL14811730 0.72 KDM4E (0.40) HDAC8KDM4E
Hydrochloric Acid SCHEMBL28319945 0.72 KDM4E (0.44) HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150136603-A1 WATER-SOLUBLE, UV-ABSORBING AND/OR FLOURESCENT COMPONENTS WITH VERY HIGH ISOELECTRIC POINTS TEXAS A & M UNIV SYS (US) 2015-05-21 US claimed
US-20090023912-A1 Water-soluble, uv-absorbing and/or flourescent components with very high isoelectric points VIGH GYULA 2009-01-22 US claimed
WO-2005105910-A2 WATER-SOLUBLE, UV-ABSORBING AND/OR FLUORESCENT COMPONENTS WITH VERY HIGH ISOELECTRIC POINTS TEXAS A & M UNIVERSITY SYSTEM (US) 2005-11-10 WO claimed
JP-2004256461-A N-HYDROXYALKYLPYRIDINIUM SALT AND METHOD FOR PRODUCING THE SAME KOEI CHEM CO LTD 2004-09-16 JP disclosed
US-3905986-A Manufacture of 1,1-disubstituted-4,4-bipyridylium salts ICI LTD 1975-09-16 US disclosed