SCHEMBL7607840

SCHEMBL7607840

O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
GPR35 Q9HC97 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 1/20 0.34
P2RX1 P51575 1/20 0.34
CES2 O00748 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL10401047 0.86 CA2 (0.49) CA2CA1MMP1MMP2MMP9
SCHEMBL7603661 0.83 GPR35 (0.42) GPR35NPSR1PDK1PDK2PDK3
SCHEMBL8751735 0.77 GPR35 (0.42) GPR35NPSR1ALDH1A1HTTMAOB
SCHEMBL10400934 0.76 LMNA (0.45) CA2CA1ALDH1A1MAOBKDM4E
SCHEMBL10880694 0.75 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL10400916 0.74 RAB9A (0.47) CA2CA1ALDH1A1HTTKDM4E
SCHEMBL10400339 0.74 CA1 (0.43) CA2CA1NPSR1ACHE
SCHEMBL13883939 0.74 MAOB (0.51) CA2MMP1MMP2MMP9MMP8
SCHEMBL16924652 0.74 GPR35 (0.39) GPR35NPSR1ALDH1A1HTTMAOB
SCHEMBL10400823 0.73 CA1 (0.42) CA2CA1ALDH1A1KDM4ETDP1

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
US-6492075-B1 COATING WITH CLEAVING COMPOUND TO CONTROLLABLY DECREASE SIZE OF DEVELOPED RESIST ADVANCED MICRO DEVICES, INC. 2002-12-10 US disclosed
US-6274289-B1 Chemical resist thickness reduction process ADVANCED MICRO DEVICES, INC. 2001-08-14 US disclosed