SCHEMBL28828613

SCHEMBL28828613

CC1(C)Cc2ccc(-c3ccc(F)cc3F)cc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CXCL12 P48061 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 3/20 0.38

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
SCHEMBL28950182 0.91 APP (0.38) TDP2APPBACE1
SCHEMBL28828624 0.91 TDP2 (0.41) TDP2KDM4EMEN1USP2ALDH1A1
SCHEMBL28828427 0.88 HTR2C (0.39) ALDH1A1ACMSDKLKB1
SCHEMBL28950173 0.87 KLKB1 (0.36) KLKB1HDAC2
SCHEMBL28828410 0.87 MPL (0.35) KLKB1HDAC2
SCHEMBL28828530 0.84 F2R (0.40) CA1CA2BACE1
SCHEMBL28828657 0.84 PGR (0.34) APPBACE1
SCHEMBL28828437 0.84 PGR (0.34) CYP3A4HDAC2
SCHEMBL28828672 0.83 PGR (0.40) APPBACE1KLKB1
SCHEMBL29228371 0.83 TDP2 (0.40) TDP2KDM4EMEN1USP2ALDH1A1

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