SCHEMBL8078609

SCHEMBL8078609

O=C(OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
BRAF P15056 2/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
ALOX5 P09917 1/20 0.51
FOLH1 Q04609 1/20 0.48
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL28292538 0.94 HTT (0.61) HTTMAPTGAABRAFCES2
SCHEMBL17417729 0.85 KMT2A (0.52) HTTMAPTALDH1A1KMT2A
SCHEMBL27445333 0.81 CES2 (0.56) MAPTCES2CES1ALOX5HSD11B1
SCHEMBL5872160 0.79 HTT (0.51) HTTMAPTGAAALDH1A1POLB
SCHEMBL8358751 0.78 KMT2A (0.67) HTTCES2CES1ALOX5ALDH1A1
SCHEMBL10465146 0.76 HTT (0.88) HTTMAPTGAABRAFALDH1A1
SCHEMBL7338130 0.76 MAPT (0.48) HTTMAPTALDH1A1POLBCRHBP
SCHEMBL8816044 0.75 ALOX5 (0.59) MAPTCES2CES1ALOX5ALDH1A1
SCHEMBL9303069 0.75 POLB (0.48) HTTMAPTGAAALDH1A1POLB
SCHEMBL254774 0.75 CES1 (0.70) MAPTCES2CES1ALOX5ALDH1A1

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-6087072-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-07-11 US disclosed
US-6027852-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-02-22 US disclosed