SCHEMBL17574265

SCHEMBL17574265

CC(C)(C)OCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 2/20 0.41
EPHX1 P07099 1/20 0.41
CA7 P43166 2/20 0.40
CTSK P43235 4/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CA14 Q9ULX7 2/20 0.38
APLNR P35414 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL10117371 0.82 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21470915 0.80 TDP1 (0.48) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13876981 0.80 TDP1 (0.48) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12085923 0.78 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18272943 0.78 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18155881 0.78 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.78 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11989021 0.78 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16923544 0.77 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12237932 0.77 TDP1 (0.46) TDP1MEN1GAAKMT2AMAOA

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-2016034946-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-03-10 WO disclosed