SCHEMBL23831751

SCHEMBL23831751

CC(C)(C)[Si](C)(C)OCc1ccc(F)cc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.41
AGXT P21549 4/20 0.41
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 1/20 0.35
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
CACNA1C Q13936 1/20 0.30
DHFR P00374 1/20 0.30
DCPS Q96C86 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
SCHEMBL30976535 0.84 IDO1 (0.56) IDO1AGXTSLC6A4BACE1
SCHEMBL27106193 0.84 IDO1 (0.56) IDO1AGXTSLC6A4BACE1
SCHEMBL19950216 0.83 HDAC3 (0.39) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL22801148 0.83 TDP1 (0.38) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL14941650 0.81 IDO1 (0.38) IDO1AGXTSLC6A4HTR1ABACE1
SCHEMBL23831941 0.81 APLNR (0.35) IDO1AGXTBACE1ALDH1A1
SCHEMBL31658755 0.80 IDO1 (0.37) IDO1AGXTHTR1ABACE1
SCHEMBL25437216 0.78 BACE1 (0.38) IDO1AGXTBACE1
SCHEMBL14941564 0.78 NR3C1 (0.35) IDO1AGXTSLC6A4BACE1
SCHEMBL30817938 0.78 NR3C1 (0.35) IDO1AGXTSLC6A4BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed
WO-2021185391-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-09-23 WO disclosed