SCHEMBL28848495

SCHEMBL28848495

Cc1ccc(S(=O)(=O)O)c(-c2cc(OCc3ccccc3)c(OC3CCN(C)CC3)c3oc(-c4ccc(F)cc4)cc(=O)c23)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.41
CDK9 P50750 4/20 0.41
MET P08581 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CCNT1 O60563 3/20 0.39
CCNA2 P20248 3/20 0.39
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
NEK2 P51955 1/20 0.34
CREB1 P16220 1/20 0.34
PPARG P37231 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL29195639 0.89 CDK2 (0.41) CDK2CDK9METBCHEACHE
SCHEMBL28848489 0.84 CDK9 (0.55) CDK2CDK9METBCHEACHE
SCHEMBL28848493 0.84 CDK2 (0.42) CDK2CDK9METBCHEACHE
SCHEMBL28848503 0.83 BCHE (0.48) BCHEACHECYP1A1CYP1A2CYP1B1
SCHEMBL29876405 0.76 MAPT (0.54) BCHEACHEL3MBTL1CREB1PPARG
SCHEMBL28848479 0.73 PARP1 (0.52) CDK2CDK9METBCHEACHE
SCHEMBL29195640 0.72 BCHE (0.47) BCHEACHECYP1A1CYP1A2CYP1B1
SCHEMBL28848486 0.71 CDK9 (0.51) CDK2CDK9METBCHEACHE
SCHEMBL28848659 0.68 ACHE (0.67) CDK2CDK9METBCHEACHE
SCHEMBL28848526 0.64 ACHE (0.60) CDK2CDK9BCHEACHECCNT1

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