SCHEMBL28292535

SCHEMBL28292535

Cc1ccccc1S(=O)(=O)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
MAPT P10636 4/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
ALOX5 P09917 1/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL9745499 0.87 CYP1A2 (0.48) POLBNPC1RAB9AMAPTMEN1
SCHEMBL14958316 0.82 CYP1A2 (0.50) POLBNPC1RAB9AMAPTMEN1
SCHEMBL14894872 0.81 CYP1A2 (0.49) POLBNPC1RAB9AMAPTMEN1
SCHEMBL3284146 0.79 POLB (0.58) POLBNPC1RAB9AMAPTMAPK1
SCHEMBL27445333 0.79 CES2 (0.56) POLBNPC1RAB9ACES1CES2
SCHEMBL28090748 0.78 TDP1 (0.47) POLBNPC1RAB9AMAPTMMP1
SCHEMBL18045522 0.77 POLB (0.55) POLBRAB9AMAPTMMP1MMP2
Nitrobenzene SCHEMBL27551489 0.76 ALDH1A1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8970628 0.75 MMP1 (0.48) RAB9AMAPTMMP1MMP2MMP9
SCHEMBL11834937 0.73 POLB (0.58) POLBCES1CES2MAPK1MEN1

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
CN-105566552-B A kind of acrylate copolymer and its manufactured 248nm photoetching compositions 江南大学 2019-05-17 CN disclosed