SCHEMBL28292538

SCHEMBL28292538

O=C(OS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
BRAF P15056 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
HSD11B1 P28845 1/20 0.51
ALOX5 P09917 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 2/20 0.49
FOLH1 Q04609 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8078609 0.94 HTT (0.57) HTTMAPTGAACRHBPCRHR2
SCHEMBL17417729 0.85 KMT2A (0.52) HTTMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL523154 0.78 KMT2A (0.67) HTTMAPTCRHBPCRHR2NPC1
SCHEMBL27445333 0.78 CES2 (0.56) MAPTCRHBPCRHR2NPC1RAB9A
SCHEMBL28090749 0.77 L3MBTL1 (0.49) HTTMAPTGAANPC1RAB9A
SCHEMBL18045525 0.76 HTT (1.00) HTTMAPTGAABRAFRAB9A
SCHEMBL5872160 0.76 HTT (0.51) HTTMAPTGAAPOLBALDH1A1
SCHEMBL7338130 0.76 MAPT (0.48) HTTMAPTCRHBPCRHR2POLB
SCHEMBL2825738 0.75 ESR1 (0.66) MAPTCRHBPCRHR2NPC1RAB9A
SCHEMBL11834937 0.75 POLB (0.58) CES2CES1POLBALDH1A1MEN1

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