SCHEMBL28848518

SCHEMBL28848518

CN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(N5CCOCC5)c4o3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP8 P40818 7/20 0.70
CCNT1 O60563 6/20 0.66
CDK9 P50750 6/20 0.66
CCNA2 P20248 4/20 0.66
CDK2 P24941 4/20 0.66
CDK4 P11802 2/20 0.66
CCND1 P24385 2/20 0.66
CDK7 P50613 2/20 0.66
CCNH P51946 2/20 0.66
MNAT1 P51948 2/20 0.66
CDK6 Q00534 2/20 0.66
PARP1 P09874 4/20 0.56
PARP2 Q9UGN5 4/20 0.56
PRKDC P78527 1/20 0.53

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
SCHEMBL28848497 0.93 USP8 (0.71) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667374 0.89 CCNT1 (0.83) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667248 0.82 USP8 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667394 0.82 CCNT1 (0.84) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667441 0.81 CCNT1 (0.83) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667258 0.80 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667451 0.80 CCNT1 (0.80) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667238 0.80 CCNT1 (1.00) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667228 0.79 CCNT1 (0.85) USP8CCNT1CDK9CCNA2CDK2
SCHEMBL22667232 0.78 CCNT1 (0.78) USP8CCNT1CDK9CCNA2CDK2

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
CN-114957182-B USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2024-03-15 CN disclosed
CN-114957182-A USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2022-08-30 CN disclosed