SCHEMBL27620069

SCHEMBL27620069

CC(C)OCCNCC(=O)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PAX8 Q06710 1/20 0.33
GSK3B P49841 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
DEGS1 O15121 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
GAA P10253 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6015656 0.94 ALDH1A1 (0.39) TSHRL3MBTL1ALDH1A1MAPTHTT
SCHEMBL6015894 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL6015672 0.82 EPHX1 (0.33) ALDH1A1MAPTKMT2A
SCHEMBL6015845 0.82 KDM4E (0.31) ALDH1A1HTTKDM4E
SCHEMBL6015884 0.81 HPGD (0.39) TSHRL3MBTL1ALDH1A1MAPTHTT
SCHEMBL6015815 0.79 DPP4 (0.31)
SCHEMBL6016013 0.78 ALDH1A1 (0.37) TSHRALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL6016047 0.76 HTR3A (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6015654 0.75 ALDH1A1 (0.33) TSHRL3MBTL1ALDH1A1MAPTHTT
SCHEMBL6015948 0.75 HTR3A (0.41) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed