SCHEMBL7053694

SCHEMBL7053694

O=C1Nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2C(=NOC(=O)c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
MAPT P10636 8/20 0.35
MDM2 Q00987 1/20 0.34
EPAS1 Q99814 2/20 0.34
ALDH1A1 P00352 6/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
VEGFA P15692 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
F2 P00734 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
ADORA3 P0DMS8 3/20 0.32

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
SCHEMBL7051820 0.93 KIF11 (0.36) KIF11MAPTMDM2EPAS1ALDH1A1
SCHEMBL7050424 0.92 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050448 0.90 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7054737 0.88 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051070 0.88 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050674 0.86 EPAS1 (0.34) KIF11EPAS1VEGFA
SCHEMBL7050946 0.84 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL8871643 0.84 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7052760 0.83 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7053186 0.83 MAPT (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2

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