SCHEMBL28848525

SCHEMBL28848525

Cc1n[nH]c(C)c1Oc1c(OCc2ccccc2)cc(O)c2c(=O)cc(-c3ccc(F)cc3)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 7/20 0.60
CDK2 P24941 5/20 0.57
CDK9 P50750 5/20 0.57
CCNT1 O60563 4/20 0.57
CCNA2 P20248 4/20 0.57
USP2 O75604 1/20 0.55
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
MET P08581 1/20 0.47
PLK1 P53350 1/20 0.46
BACE1 P56817 1/20 0.46
MAPT P10636 2/20 0.44
ABCB1 P08183 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
KDM1A O60341 1/20 0.43
PKM P14618 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL28848498 0.84 USP8 (0.77) USP8CDK2CDK9CCNT1CCNA2
SCHEMBL28848659 0.84 ACHE (0.67) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848517 0.81 ACHE (0.49) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848654 0.81 KDM5A (0.52) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848526 0.80 ACHE (0.60) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848656 0.79 ACHE (0.51) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL21335354 0.77 ACHE (0.77) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848485 0.77 ACHE (0.50) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL29195654 0.76 ACHE (0.46) CDK2CDK9CCNT1CCNA2ACHE
SCHEMBL28848489 0.76 CDK9 (0.55) USP8CDK2CDK9CCNT1CCNA2

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