SCHEMBL4716736

SCHEMBL4716736

O=C(NF)c1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
EGLN2 Q96KS0 1/20 0.68
ALDH1A1 P00352 2/20 0.66
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PARP1 P09874 1/20 0.55
P2RX1 P51575 1/20 0.54
FAAH O00519 1/20 0.50
GAA P10253 4/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL11327878 0.85 KDM4E (0.76) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL2872684 0.81 KDM4E (1.00) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL29357844 0.79 KDM4E (0.68) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL162859 0.79 KDM4E (0.68) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL1363588 0.79 ALDH1A1 (1.00) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL28853978 0.79 KDM4E (0.68) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL27648097 0.79 PKM (0.58) CA12CA1CA2CA6CA9
SCHEMBL23484191 0.78 KDM4E (0.69) KDM4EEGLN2ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL3973558 0.78 ALDH1A1 (0.96) KDM4EEGLN2ALDH1A1CA12CA1
SCHEMBL6459633 0.78 HDAC8 (0.69) MEN1KMT2APARP1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN disclosed
CN-101404989-B Antibacterial agent PROLYSIS LTD 2011-10-05 CN disclosed
CN-102008459-A Antibacterial agents PROLYSIS LTD 2011-04-13 CN disclosed
CN-101404989-A Antibacterial agent PROLYSIS LTD (GB) 2009-04-08 CN disclosed
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed