SCHEMBL28828601

SCHEMBL28828601

CC1(C)Cc2cc(-c3ccc(F)c(Cl)c3)ccc2C1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
CASP1 P29466 1/20 0.36
PGR P06401 5/20 0.35
ICMT O60725 3/20 0.35
BACE1 P56817 2/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
SLC9A1 P19634 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MDM2 Q00987 1/20 0.33
RORC P51449 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
SCHEMBL28828686 0.91 SIRT1 (0.36) SLC9A1RORC
SCHEMBL28828703 0.90 PGR (0.38) PGRSLC9A1
SCHEMBL28828604 0.90 CYP17A1 (0.33) PGRPTGS1PTGS2HDAC1HDAC2
SCHEMBL28828640 0.88 SIRT2 (0.36) TDP2PGRSLC9A1HDAC1HDAC2
SCHEMBL28828388 0.87 DAPK3 (0.38) SLC9A1PTGS1PTGS2
SCHEMBL28828678 0.87 PKM (0.34) SLC9A1PTGS1PTGS2CHRM2CHRM1
SCHEMBL29121361 0.87 PKM (0.34) SLC9A1PTGS1PTGS2CHRM2CHRM1
SCHEMBL28828610 0.87 RXRA (0.34) PGRBACE1SLC9A1
SCHEMBL28828495 0.86 PGR (0.41) TDP2PGRSLC9A1
SCHEMBL28828426 0.86 KDM1A (0.39) HDAC1HDAC2

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