SCHEMBL7052154

SCHEMBL7052154

O=C1Nc2cc(Br)c([N+](=O)[O-])c(Br)c2C(=O)/C1=N/O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
BLM P54132 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
TTR P02766 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL7052157 1.00 CA1 (0.33) CA1CA2CA12CA9CAPN9
SCHEMBL7053698 0.90 CA1 (0.33) CA1CA2CA12CA9CAPN9
SCHEMBL7056832 0.90 CAPN9 (0.35) CA1CA2CA12CA9CAPN9
SCHEMBL7056828 0.90 CAPN9 (0.35) CA1CA2CA12CA9CAPN9
SCHEMBL7053697 0.90 CA1 (0.33) CA1CA2CA12CA9CAPN9
SCHEMBL8873553 0.86 CA1 (0.33) CA1CA2CA12CA9CAPN9
SCHEMBL8873548 0.86 CA1 (0.33) CA1CA2CA12CA9CAPN9
SCHEMBL8875193 0.83 CAPN9 (0.34) CA1CA2CA12CA9CAPN9
SCHEMBL8875196 0.83 CAPN9 (0.34) CA1CA2CA12CA9CAPN9
SCHEMBL7053822 0.82 CCNB2 (0.35) ALDH1A1POLBGAAMAPTMPI

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