SCHEMBL7051540

SCHEMBL7051540

O=C1Nc2ccc(Cl)c(C(F)(F)F)c2/C(=N/O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 0.50
NOTUM Q6P988 2/20 0.36
TGM2 P21980 2/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
PTPN5 P54829 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
MCL1 Q07820 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NSD2 O96028 1/20 0.30
BCHE P06276 1/20 0.30
DAO P14920 1/20 0.30
DNMT1 P26358 1/20 0.30

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
SCHEMBL7051542 1.00 CES1 (0.50) CES1NOTUMTGM2MEN1POLB
SCHEMBL7054756 0.89 CES1 (0.46) CES1NOTUMTGM2
SCHEMBL7054760 0.89 CES1 (0.46) CES1NOTUMTGM2
SCHEMBL7053458 0.84 CES1 (0.34) CES1TGM2
SCHEMBL7053459 0.84 CES1 (0.34) CES1TGM2
SCHEMBL7048297 0.83 CES1 (0.33) CES1TGM2
SCHEMBL7048295 0.83 CES1 (0.33) CES1TGM2
SCHEMBL7053356 0.81 CES1 (0.43) CES1NOTUMTGM2POLBMAPT
SCHEMBL7055733 0.78 CES1 (0.39) CES1TGM2MEN1MAPTKMT2A
SCHEMBL8871333 0.76 CES1 (0.45) CES1NOTUMTGM2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed