SCHEMBL28828640

SCHEMBL28828640

CC1(C)Cc2cc(-c3ccc(Cl)cc3)ccc2C1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SLC9A1 P19634 1/20 0.35
TDP2 O95551 1/20 0.35
MAP4K4 O95819 4/20 0.34
PDE5A O76074 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
AOC3 Q16853 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SCN9A Q15858 1/20 0.32
EDNRB P24530 1/20 0.32

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
SCHEMBL28828610 0.91 RXRA (0.34) SIRT2SIRT1SLC9A1EDNRBEDNRA
SCHEMBL28828495 0.90 PGR (0.41) SLC9A1TDP2SLC6A3PGR
SCHEMBL28828623 0.90 JAK2 (0.35) SIRT2SIRT1SLC9A1TDP2MAP4K4
SCHEMBL28828703 0.89 PGR (0.38) SIRT2SIRT1SLC9A1SLC6A3PGR
SCHEMBL28828382 0.89 DHODH (0.36) TDP2EDNRBEDNRAMAPTPGR
SCHEMBL28828601 0.88 TDP2 (0.39) SLC9A1TDP2HDAC1HDAC2PGR
SCHEMBL29228420 0.88 MAP4K4 (0.38) SLC9A1TDP2MAP4K4PDE5AHDAC1
SCHEMBL28828698 0.88 IKBKB (0.38) TDP2HDAC1HDAC2IKBKB
SCHEMBL28828426 0.88 KDM1A (0.39) HDAC1HDAC2
SCHEMBL28828363 0.86 CHRNB2 (0.39) MAP4K4MEN1KMT2AHDAC2EDNRB

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