SCHEMBL21311602

SCHEMBL21311602

CCOCOCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 4/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 1/20 0.37
CA2 P00918 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3177993 0.81 TDP1 (0.46) TDP1MEN1KMT2AGAAMAOA
SCHEMBL16923544 0.77 TDP1 (0.55) TDP1MEN1KMT2AGAAMAOA
SCHEMBL22939663 0.77 TDP1 (0.46) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8983076 0.76 TDP1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL14978979 0.76 MEN1 (0.46) TDP1MEN1KMT2AGAAMAOA
SCHEMBL16923542 0.76 TDP1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL10073751 0.76 TDP1 (0.53) TDP1MEN1KMT2AGAAMAOA
SCHEMBL16013856 0.74 TDP1 (0.43) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17574265 0.74 TDP1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL10117371 0.74 TDP1 (0.50) TDP1MEN1KMT2AGAAMAOA

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
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed