SCHEMBL28848637

SCHEMBL28848637

O=c1cc(-c2ccc(F)cc2)oc2c(N3CCCC3)c(O)cc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP8 P40818 6/20 0.58
PARP1 P09874 4/20 0.57
PARP2 Q9UGN5 4/20 0.57
CCNT1 O60563 2/20 0.54
CCNA2 P20248 2/20 0.54
CDK2 P24941 2/20 0.54
CDK9 P50750 2/20 0.54
CDK5 Q00535 4/20 0.51
CDK5R1 Q15078 4/20 0.51
PTPN1 P18031 1/20 0.51
CBS P35520 1/20 0.51
AR P10275 1/20 0.50
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK6 Q00534 1/20 0.47

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
SCHEMBL22667392 0.87 CCNT1 (0.64) USP8PARP1PARP2CCNT1CCNA2
SCHEMBL28848497 0.83 USP8 (0.71) USP8PARP1PARP2CCNT1CCNA2
SCHEMBL22667393 0.78 CYP1A1 (0.56) USP8CCNT1CCNA2CDK2CDK9
SCHEMBL29877108 0.78 CYP1A1 (0.56) USP8CCNT1CCNA2CDK2CDK9
SCHEMBL28848518 0.76 USP8 (0.70) USP8PARP1PARP2CCNT1CCNA2
SCHEMBL28953790 0.74 USP8 (1.00) USP8CCNT1CCNA2CDK2CDK9
SCHEMBL22667394 0.73 CCNT1 (0.84) USP8PARP1PARP2CCNT1CCNA2
SCHEMBL22667441 0.72 CCNT1 (0.83) USP8PARP1PARP2CCNT1CCNA2
SCHEMBL28848509 0.72 CDK4 (0.82) PARP1PARP2CCNT1CCNA2CDK2
Tetramethylammonium Ion SCHEMBL28848523 0.71 CBS (0.50) USP8PARP1PARP2CCNT1CCNA2

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