SCHEMBL7049385

SCHEMBL7049385

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 7/20 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
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
F2 P00734 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 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
POLB P06746 1/20 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
SCHEMBL8871643 0.92 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7054980 0.92 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051654 0.86 KMT2A (0.39) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL7051070 0.86 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7052613 0.85 MAPT (0.39) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051101 0.84 ALDH1A1 (0.33) MAPTALDH1A1GAAPOLBMPI
SCHEMBL7051820 0.84 KIF11 (0.36) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7050955 0.83 MAPT (0.39) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7051874 0.82 MAPT (0.38) MAPTMDM2ALDH1A1HTTSMN1; SMN2
SCHEMBL7055906 0.82 MAPT (0.38) 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