SCHEMBL28828624

SCHEMBL28828624

CC1(C)Cc2cc(-c3ccc(F)cc3F)ccc2C1OC(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
KLKB1 P03952 14/20 0.37

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
SCHEMBL28828613 0.91 TDP2 (0.41) TDP2KDM4EMEN1USP2ALDH1A1
SCHEMBL28828714 0.91 ABL1 (0.37) KMT2AAPPBACE1
SCHEMBL28828433 0.90 AKR1C3 (0.34) TDP2GRM2APPBACE1CYP3A4
SCHEMBL28828553 0.90 ABL1 (0.39) KMT2AKLKB1BACE1
SCHEMBL29228371 0.89 TDP2 (0.40) TDP2KDM4EMEN1USP2ALDH1A1
SCHEMBL28828386 0.89 CTSA (0.38)
SCHEMBL28828377 0.89 FASN (0.39) KMT2AKLKB1GRM2
SCHEMBL28828429 0.89 KDM1A (0.33) KLKB1
SCHEMBL28828754 0.88 AKR1C3 (0.38) KLKB1GRM2APPCYP2C19
SCHEMBL28828426 0.87 KDM1A (0.39) CYP3A4HDAC2

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