SCHEMBL28241333

SCHEMBL28241333

CC(C)(C)OC(=O)N1Cc2cccc(-c3ccccc3Br)c2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MAPK1 P28482 1/20 0.48
UCHL1 P09936 1/20 0.45
NAMPT P43490 4/20 0.45
SCN9A Q15858 1/20 0.43
HDAC1 Q13547 1/20 0.41
ESR2 Q92731 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
NR1H2 P55055 1/20 0.40
PDK4 Q16654 1/20 0.40
TRAP1 Q12931 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL3578620 0.88 ABHD6 (0.62) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL29421757 0.88 ABHD6 (0.62) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL28242065 0.85 DDB1 (0.49) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL22096353 0.85 UCHL1 (0.60) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL28863741 0.81 MAPK1 (0.47) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL19357888 0.80 DDB1 (0.43) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL25601626 0.80 DDB1 (0.56) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL2119725 0.80 ABHD6 (0.65) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL29421744 0.80 ABHD6 (0.65) ABHD6DDB1CRBNMAPK1UCHL1
SCHEMBL14894232 0.80 ABHD6 (0.43) ABHD6DDB1CRBNMAPK1UCHL1

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
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN disclosed