SCHEMBL28828544

SCHEMBL28828544

CC1(C)Cc2cc(-c3cc(Cl)ccc3Cl)ccc2C1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.39
RORC P51449 2/20 0.36
MCHR1 Q99705 1/20 0.34
TP53 P04637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL28950167 0.91 SLC9A1 (0.37) SLC9A1RORCMCHR1TP53CNR1
SCHEMBL28828525 0.90 RORC (0.36) SLC9A1RORCPDK1PDK2PDK3
SCHEMBL29228251 0.89 SLC9A1 (0.38) SLC9A1RORCMCHR1TP53CNR1
SCHEMBL28828431 0.88 RORC (0.37) RORCSMN1; SMN2PDK1PDK2PDK3
SCHEMBL28828559 0.88 ABL1 (0.43) SLC9A1ALDH1A1
SCHEMBL28828661 0.88 SCN9A (0.37) RORCSCN9APDK1PDK2PDK3
SCHEMBL28828640 0.87 SIRT2 (0.36) SLC9A1CNR1MAPTKDM4ERAB9A
SCHEMBL28828517 0.86 FFAR4 (0.41) RORCALDH1A1MAPK1
SCHEMBL28828703 0.86 PGR (0.38) SLC9A1SIRT2SIRT1
SCHEMBL28828495 0.85 PGR (0.41) SLC9A1

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