SCHEMBL20880323

SCHEMBL20880323

CC1=C(C)C(=O)N(N(C)c2ccc(C(F)(F)F)c(C)n2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 6/20 0.54
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23872325 0.85 XPO1 (0.45) XPO1
SCHEMBL24465048 0.80 XPO1 (0.38) XPO1
SCHEMBL18197785 0.78 XPO1 (0.44) XPO1
SCHEMBL17537351 0.76 CYP1A2 (0.49) XPO1GAACYP1A2CYP3A4ALOX15
SCHEMBL24465067 0.72 XPO1 (0.64) XPO1
SCHEMBL12704678 0.71 XPO1 (0.48) XPO1
SCHEMBL8124542 0.71 XPO1 (0.41) XPO1CYP1A2
SCHEMBL20880362 0.69 XPO1 (0.54) XPO1
SCHEMBL17817932 0.68 XPO1 (0.64) XPO1
SCHEMBL1592573 0.68 XPO1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567035-B1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2022-06-01 EP disclosed
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