SCHEMBL28828694

SCHEMBL28828694

COc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
KDM1B Q8NB78 2/20 0.50
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
DHODH Q02127 1/20 0.38
SLC9A1 P19634 3/20 0.37
FFAR1 O14842 5/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.35
RPS6KA3 P51812 1/20 0.35

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
SCHEMBL29121273 1.00 KDM1A (0.50) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL29121218 0.90 KDM1A (0.39) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL29121257 0.90 KDM1A (0.48) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL28828494 0.90 KDM1A (0.39) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL28828560 0.89 AKR1C3 (0.37) KDM1AKDM1BAKR1C3AKR1C2FFAR1
SCHEMBL28828664 0.89 PTGS2 (0.45) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL28828506 0.89 CYP1A1 (0.40) KDM1AKDM1BDHODHSLC9A1NCOA1
SCHEMBL28828510 0.89 PRKAB2 (0.39) KDM1AKDM1BFFAR1
SCHEMBL28950175 0.89 F2R (0.37) KDM1AKDM1BSLC9A1LMNAALDH1A1
SCHEMBL29121219 0.89 PRKAB2 (0.39) KDM1AKDM1BFFAR1

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