SCHEMBL28828429

SCHEMBL28828429

CC1(C)Cc2cc(-c3cc(F)c(F)cc3F)ccc2C1OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 2/20 0.33
RORC P51449 2/20 0.32
KLKB1 P03952 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PTGS2 P35354 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
SCHEMBL28828652 0.90 CTSA (0.37) KDM1AKDM1BRORCPTGS2
SCHEMBL28828624 0.89 TDP2 (0.41) KLKB1
SCHEMBL28828714 0.89 ABL1 (0.37) RORC
SCHEMBL29228443 0.89 RORC (0.34) KDM1AKDM1BRORCKLKB1
SCHEMBL28828604 0.88 CYP17A1 (0.33) PTGS2
SCHEMBL28828433 0.88 AKR1C3 (0.34) KDM1ARORC
SCHEMBL28828442 0.88 OTUD7B (0.39) RORCKLKB1
SCHEMBL28828631 0.87 ACMSD (0.37) RORCKLKB1
SCHEMBL28828489 0.86 PGR (0.38) RORCKLKB1
SCHEMBL28828434 0.86 MPL (0.33) RORCKLKB1

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