SCHEMBL21886201

SCHEMBL21886201

Cc1ccc(S(=O)(=O)n2cc(B(O)OC(C)(C)C(C)(C)C)c3cccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.41
HTR6 P50406 1/20 0.40
COMT P21964 4/20 0.39
KDM4E B2RXH2 3/20 0.38
UBE2N P61088 1/20 0.38
HSD11B1 P28845 3/20 0.38
PKM P14618 1/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
LATS1 O95835 1/20 0.35
POLB P06746 1/20 0.35
ALDH3A1 P30838 1/20 0.35
NOD1 Q9Y239 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2447588 0.85 L3MBTL1 (0.55) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL14555161 0.82 L3MBTL1 (0.53) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL14816589 0.82 L3MBTL1 (0.52) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL20292949 0.82 L3MBTL1 (0.52) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL13858327 0.78 TSHR (0.33) L3MBTL1HTR6KDM4EUBE2NPKM
SCHEMBL17394567 0.75 HTR6 (0.58) L3MBTL1PTGDR2HTR6SMN1; SMN2LMNA
SCHEMBL1779514 0.75 L3MBTL1 (0.60) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL257136 0.74 KDM4E (0.64) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL13302164 0.74 L3MBTL1 (0.59) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL18634166 0.73 L3MBTL1 (0.46) L3MBTL1PTGDR2HTR6COMTKDM4E

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
EP-3141548-B1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMA (US) 2020-04-08 EP disclosed