SCHEMBL23992020

SCHEMBL23992020

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
AOC3 Q16853 1/20 0.35
CA12 O43570 5/20 0.34
CA2 P00918 5/20 0.34
CA14 Q9ULX7 1/20 0.34
APLNR P35414 1/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
EPHX1 P07099 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTPN11 Q06124 1/20 0.33
GABRR1 P24046 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL27257220 0.85 TDP1 (0.41) MAOBMAOATDP1MEN1KMT2A
SCHEMBL27257219 0.85 TDP1 (0.41) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1294979 0.85 TDP1 (0.45) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1295600 0.85 TDP1 (0.45) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1295598 0.85 TDP1 (0.45) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1295805 0.83 TDP1 (0.40) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1295806 0.83 TDP1 (0.40) MAOBMAOATDP1MEN1KMT2A
SCHEMBL1295257 0.83 TDP1 (0.40) MAOBMAOATDP1MEN1KMT2A
SCHEMBL27257147 0.83 TDP1 (0.40) MAOBMAOATDP1MEN1KMT2A
SCHEMBL27257146 0.83 TDP1 (0.40) MAOBMAOATDP1MEN1KMT2A

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