SCHEMBL6836629

SCHEMBL6836629

CC(=O)Cc1ccc(F)c([N+](=O)[O-])c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 4/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 6/20 0.33
VCAM1 P19320 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDK1 Q15118 1/20 0.33
GAA P10253 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2803959 0.86 CYP1A2 (0.39) TDP1LMNARECQLALDH1A1CYP1A2
SCHEMBL22284116 0.81 GAA (0.40) L3MBTL1TDP1LMNAALDH1A1CYP1A2
SCHEMBL30661310 0.80 ALDH1A1 (0.35) TDP1POLBALDH1A1VCAM1CYP1A2
SCHEMBL28337354 0.79 CYP1A2 (0.39) TDP1LMNARECQLALDH1A1CYP1A2
SCHEMBL2870153 0.77 RIPK1 (0.45) L3MBTL1
SCHEMBL20865844 0.76 LMNA (0.40) L3MBTL1TDP1POLBLMNARECQL
SCHEMBL9769165 0.76 ALDH1A1 (0.43) TDP1POLBLMNAALDH1A1VCAM1
SCHEMBL18894092 0.75 MAPK1 (0.39) L3MBTL1TDP1KDM4EPOLBCTDSP1
SCHEMBL1441025 0.74 ALDH1A1 (0.50) L3MBTL1POLBLMNAALDH1A1CYP1A2
SCHEMBL18894093 0.73 ALDH1A1 (0.33) TDP1POLBALDH1A1VCAM1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004083559-A PRODUCTION PROCESS FOR INDOLE COMPOUND NISSAN CHEM IND LTD 2004-03-18 JP disclosed