SCHEMBL1258992

SCHEMBL1258992

O=C(O)c1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
HPGD P15428 8/20 0.76
KDM4E B2RXH2 6/20 0.76
GAA P10253 5/20 0.76
RAB9A P51151 3/20 0.76
NPC1 O15118 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MAPT P10636 3/20 0.74
CDH1 P12830 1/20 0.74
APC P25054 1/20 0.74
CTNNB1 P35222 1/20 0.74
TCF7L2 Q9NQB0 1/20 0.74
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NSD2 O96028 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL15665854 0.95 HPGD (0.85) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL10547412 0.88 HPGD (0.58) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15665863 0.87 HPGD (0.93) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15666427 0.87 HPGD (0.93) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL30555665 0.86 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL6291531 0.86 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL14565634 0.85 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL7262881 0.85 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL18257900 0.85 CDH1 (1.00) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL15666702 0.85 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAARAB9A

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-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20110033776-A1 PROTON EXCHANGE MEMBRANES Board of regents of the Nevada System of Higher Education, on Behalf of the University of 2011-02-10 US disclosed
US-6608171-B1 Containing solubilizing pendant groups or flexible units; processability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-08-19 US disclosed
US-6552195-B1 Room temperature initiators for bismaleimide polymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-04-22 US disclosed
US-6541633-B1 2,3-bis(3-amino-4-hydroxy or 4-mercapto or 4-NH2.HCLphenyl)quinoxaline-6- carboxylic acid dihydrochloride monomer, which self-polymerizes to form hyperbranched polybenzoxazoles, polybenzothizoles etc. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-04-01 US disclosed