SCHEMBL7054980

SCHEMBL7054980

O=C1Nc2cc(Cl)c(Cl)c([N+](=O)[O-])c2C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MDM2 Q00987 1/20 0.37
DCTPP1 Q9H773 2/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 3/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL7049385 0.92 MAPT (0.38) MAPTMDM2DCTPP1ALDH1A1HTT
SCHEMBL7051070 0.92 MAPT (0.38) MAPTMDM2DCTPP1ALDH1A1HTT
SCHEMBL7051820 0.88 KIF11 (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051654 0.86 KMT2A (0.39) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL8871643 0.86 MAPT (0.38) MAPTMDM2DCTPP1ALDH1A1HTT
SCHEMBL7054500 0.84 TSHR (0.36) MAPTDCTPP1ALDH1A1GAAPOLB
SCHEMBL7055906 0.84 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7055913 0.84 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7049493 0.84 MAPT (0.38) MAPTMDM2DCTPP1ALDH1A1HTT
SCHEMBL7050955 0.83 MAPT (0.39) 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