SCHEMBL20880320

SCHEMBL20880320

CC1=C(c2ccccc2)C(=O)N(Nc2ccc(C(F)(F)F)c(C)n2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 16/20 0.46
SORT1 Q99523 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL8406375 0.88 XPO1 (0.60) XPO1
SCHEMBL20880362 0.86 XPO1 (0.54) XPO1SORT1
SCHEMBL1592486 0.81 XPO1 (0.48) XPO1HSD11B1ALDH1A1L3MBTL1
SCHEMBL4996443 0.76 XPO1 (0.53) XPO1ALDH1A1
SCHEMBL23872317 0.75 XPO1 (0.51) XPO1SORT1ALDH1A1
SCHEMBL1593014 0.74 XPO1 (0.46) XPO1
SCHEMBL23872050 0.74 XPO1 (0.43) XPO1
SCHEMBL4992534 0.73 XPO1 (0.72) XPO1
SCHEMBL1592490 0.73 XPO1 (0.52) XPO1
SCHEMBL24465034 0.72 XPO1 (0.53) XPO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed