SCHEMBL8208233

SCHEMBL8208233

CC(C)Oc1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.47
PDK1 Q15118 1/20 0.43
RECQL P46063 2/20 0.42
TSHR P16473 2/20 0.41
GPR35 Q9HC97 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSPB1 P04792 1/20 0.38
HTT P42858 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL971856 0.83 ALDH1A1 (0.43) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL1342303 0.82 ALDH1A1 (0.63) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL30072983 0.81 TDP1 (0.60) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL1059260 0.81 ALDH1A1 (0.67) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL8229692 0.80 TDP1 (0.48) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL2841769 0.80 TDP1 (0.48) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL1340836 0.77 L3MBTL1 (0.68) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL29254173 0.77 ALDH1A1 (0.57) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL15283229 0.77 TDP1 (0.44) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL2418024 0.76 TDP1 (0.45) TDP1MEN1MAPTKMT2AL3MBTL1

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
US-6110961-A USEFUL IN PROPHYLAXIS AND TREATMENT OF MENTAL DISORDERS, SUCH AS DEPRESSION, ANXIETY KRENITSKY PHARMACEUTICALS, INC. (US) 2000-08-29 US disclosed
EP-1021434-A2 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND USE Krenitsky Pharmaceuticals, Inc. (US) 2000-07-26 EP disclosed
WO-1998012190-A2 PHENOXATHIIN DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE KRENITSKY PHARMACEUTICAL, INC. (US) 1998-03-26 WO disclosed