SCHEMBL28828678

SCHEMBL28828678

Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.33
KMO O15229 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC9A1 P19634 1/20 0.31
ABL1 P00519 1/20 0.31
CHEK2 O96017 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
MAPT P10636 2/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
HPGD P15428 1/20 0.30
FFAR2 O15552 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL29121361 1.00 PKM (0.34) PKMKDM4EKMT2AKMOMEN1
SCHEMBL28828703 0.91 PGR (0.38) SLC9A1
SCHEMBL28828509 0.89 MCL1 (0.34)
SCHEMBL28828601 0.87 TDP2 (0.39) SLC9A1CHRM2CHRM1CHRM3PTGS1
SCHEMBL28828640 0.87 SIRT2 (0.36) KDM4EKMT2AMEN1SLC9A1MAPT
SCHEMBL28828534 0.86 PTGS2 (0.39) KMT2AKMOMEN1MAPTMAPK1
SCHEMBL29121269 0.86 PTGS2 (0.39) KMT2AKMOMEN1MAPTMAPK1
SCHEMBL28828667 0.86 SLC6A3 (0.37) KMOSLC9A1ABL1
SCHEMBL28828610 0.86 RXRA (0.34) SLC9A1
SCHEMBL28828382 0.85 DHODH (0.36) ALDH1A1ABL1MAPTHPGD

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