SCHEMBL23992116

SCHEMBL23992116

CC(=O)C(C)(C)OC(=O)NC/C=C/CN

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8260176 0.84 TDP1 (0.43) TDP1
SCHEMBL4473309 0.84 TDP1 (0.43) TDP1
SCHEMBL4473312 0.84 TDP1 (0.43) TDP1
Hydrochloric Acid SCHEMBL21616394 0.83 TDP1 (0.42) TDP1
Hydrochloric Acid SCHEMBL22121480 0.83 TDP1 (0.42) TDP1
SCHEMBL23992120 0.79
SCHEMBL18487257 0.74 TDP1 (0.50) TDP1
SCHEMBL18262010 0.74 TDP1 (0.50) TDP1
SCHEMBL18262007 0.74 TDP1 (0.50) TDP1
SCHEMBL23992158 0.73 CYP3A4 (0.39)

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed