SCHEMBL4440575

SCHEMBL4440575

CC(=O)C(C)(CBr)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
HSD11B1 P28845 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1645918 0.82 PTPRC (0.52) ALDH1A1POLBCES1MEN1KMT2A
SCHEMBL1647740 0.78 MAPK1 (0.55) MAPK1ALDH1A1POLBHSD11B1CES1
SCHEMBL28551166 0.77 HSD17B10 (0.54) MAPK1ALDH1A1POLBHSD11B1CES1
SCHEMBL3406125 0.76 MEN1 (0.45) GSK3BMAPK1ALDH1A1POLBMEN1
SCHEMBL2230940 0.75 GSK3B (0.53) GSK3BMAPK1ALDH1A1POLBHSD11B1
SCHEMBL677959 0.74 HSD17B10 (0.56) MAPK1ALDH1A1POLBHSD11B1CES1
SCHEMBL5674580 0.74 POLB (0.54) MAPK1ALDH1A1POLBHSD11B1CES1
SCHEMBL8327387 0.74 ALDH1A1 (0.47) MAPK1ALDH1A1POLBHSD11B1CA1
SCHEMBL28677424 0.73 GSK3B (0.48) GSK3BALDH1A1POLBCES1CA1
SCHEMBL27579582 0.73 HSD11B1 (0.54) MAPK1ALDH1A1POLBHSD11B1CES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed