SCHEMBL28848519

SCHEMBL28848519

CN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(OCc5ccccc5)c(Oc5c[nH][nH]c5=O)c4o3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP8 P40818 12/20 0.55
CDK9 P50750 7/20 0.55
CCNT1 O60563 6/20 0.55
CDK2 P24941 5/20 0.55
CCNA2 P20248 4/20 0.55
MET P08581 1/20 0.53
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
CDK7 P50613 2/20 0.52
CCNH P51946 2/20 0.52
MNAT1 P51948 2/20 0.52
CDK6 Q00534 2/20 0.52
USP2 O75604 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46

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
SCHEMBL28848650 0.87 USP8 (0.70) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL28848517 0.85 ACHE (0.49) CDK9CCNT1CDK2CCNA2MET
SCHEMBL28848511 0.80 USP8 (0.70) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL28848498 0.75 USP8 (0.77) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL28848489 0.74 CDK9 (0.55) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL21335354 0.73 ACHE (0.77) CDK9CCNT1CDK2CCNA2MET
SCHEMBL22667448 0.73 USP8 (0.60) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL22667248 0.72 USP8 (1.00) USP8CDK9CCNT1CDK2CCNA2
SCHEMBL28848659 0.71 ACHE (0.67) CDK9CCNT1CDK2CCNA2MET
SCHEMBL22667241 0.71 CCNT1 (0.82) USP8CDK9CCNT1CDK2CCNA2

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