SCHEMBL28828672

SCHEMBL28828672

CC1(C)Cc2ccc(-c3cccc(F)c3F)cc2C1OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
APP P05067 2/20 0.38
BACE1 P56817 2/20 0.38
KLKB1 P03952 4/20 0.36
DYRK1A Q13627 7/20 0.36
WNT1 P04628 5/20 0.36
GSK3B P49841 3/20 0.33
KCNH2 Q12809 2/20 0.33
FABP4 P15090 1/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
FLT4 P35916 1/20 0.33
MAPK8 P45983 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
SCHEMBL28828489 0.92 PGR (0.38) PGRAPPBACE1KLKB1DYRK1A
SCHEMBL28828427 0.91 HTR2C (0.39) PGRKLKB1DYRK1AWNT1KCNH2
SCHEMBL28828410 0.90 MPL (0.35) KLKB1
SCHEMBL28828631 0.84 ACMSD (0.37) PGRKLKB1DYRK1AWNT1KCNH2
SCHEMBL29228212 0.84 PGR (0.37) PGRAPPBACE1KLKB1DYRK1A
SCHEMBL28828613 0.83 TDP2 (0.41) APPBACE1KLKB1
SCHEMBL28828434 0.83 MPL (0.33) KLKB1RORC
SCHEMBL28950182 0.83 APP (0.38) APPBACE1GSK3BKCNH2
SCHEMBL28828530 0.83 F2R (0.40) PGRBACE1MAP4K4
SCHEMBL28828437 0.83 PGR (0.34) PGRDYRK1AWNT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed