SCHEMBL29746516

SCHEMBL29746516

CC(C)(C)[Si](C)(C)OCc1cc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.49
CYP19A1 P11511 1/20 0.41
ADRA2A P08913 1/20 0.40
HTR1A P08908 6/20 0.39
HTR2B P41595 6/20 0.39
DRD2 P14416 5/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16450616 0.79 AGXT (0.62) AGXTLOXL2CYP19A1ADRA2AHTR1A
SCHEMBL24570862 0.79 CA12 (0.43) AGXTCA12CA1CA9
SCHEMBL1520921 0.76 AGXT (1.00) AGXTLOXL2CYP19A1ADRA2AHTR1A
SCHEMBL14145540 0.76 AGXT (0.68) AGXTLOXL2CYP19A1HTR1AHTR2B
SCHEMBL30514557 0.74 HDAC6 (0.48) CA12CA9SMN1; SMN2
SCHEMBL24570858 0.74 HDAC6 (0.48) CA12CA9SMN1; SMN2
SCHEMBL30688991 0.74 DUT (0.34) CA12CA1CA9
SCHEMBL31215584 0.74 HDAC6 (0.33) AGXTCA12CA1CA9
SCHEMBL19913913 0.74 MEN1 (0.33) AGXTESR1ESR2CA12CA1
SCHEMBL24087673 0.73 AGXT (0.64) AGXTLOXL2CYP19A1HTR1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 WO disclosed