SCHEMBL27714239

SCHEMBL27714239

O=C(c1cccc(S(=O)(=O)O)c1[N+](=O)[O-])C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
SRC P12931 1/20 0.36
DDX3X O00571 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL5081573 0.81 TSHR (0.47) POLBDDX3XTDP1ALDH1A1CYP1A2
SCHEMBL27861590 0.81 TSHR (0.47) POLBDDX3XTDP1ALDH1A1CYP1A2
SCHEMBL277752 0.81 LMNA (0.52) LMNACES2CES1MAPK1POLB
SCHEMBL3259212 0.81 GPR35 (0.46) LMNACES2CES1MAPK1TDP1
SCHEMBL27866291 0.80 LMNA (0.44) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL8227998 0.80 CES2 (0.45) LMNACES2CES1MAPK1TDP1
SCHEMBL3069224 0.79 ALDH1A1 (0.40) POLBDDX3XTDP1ALDH1A1CYP1A2
SCHEMBL27936141 0.78 ALDH1A1 (0.43) LMNACES2CES1MAPK1POLB
SCHEMBL5405432 0.75 LMNA (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL787459 0.74 ALDH1A1 (0.53) LMNACES2CES1MAPK1TDP1

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
CN-101410519-A Metapneumovirus strains and their use in vaccine formulations and as vectors for expression of antigenic sequences and methods for propagating viruses MEDIMMUNE VACCINES INC (US) 2009-04-15 CN disclosed
CN-101098958-A Metapneumovirus strains and their use in vaccine formulations and as vectors for expression of antigenic sequences MEDIMMUNE VACCINES INC (US) 2008-01-02 CN disclosed