SCHEMBL11513899

SCHEMBL11513899

CCOC(=O)C(C)Oc1ccc([S+]([O-])c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
HTR2A P28223 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NR5A1 Q13285 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL655938 0.91 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11515737 0.84 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11516006 0.83 EPHX2 (0.56) MAPTL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL830301 0.81 LMNA (0.56) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11514666 0.80 IDH1 (0.51) L3MBTL1KMT2ALMNAGAA
SCHEMBL11708706 0.79 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL15516165 0.78 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL16261809 0.78 LMNA (0.52) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL831079 0.78 LMNA (0.52) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11511951 0.77 IDH1 (0.43) MAPTL3MBTL1KMT2ALMNAMEN1

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
US-4178169-A Diphenyl sulfide, sulfoxide and sulfone plant growth regulators ROHM AND HAAS COMPANY (US) 1979-12-11 US disclosed