SCHEMBL31017490

SCHEMBL31017490

COc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.39
DRD3 P35462 5/20 0.39
HTR1D P28221 2/20 0.39
DRD4 P21917 3/20 0.39
ELANE P08246 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR5A P47898 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL4527853 1.00 DRD2 (0.39) DRD2DRD3HTR1DDRD4ELANE
SCHEMBL30706241 0.94 DRD2 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL17048014 0.84 DRD2 (0.39) DRD2DRD3HTR1DDRD4KDM4E
SCHEMBL28987318 0.84 DRD2 (0.39) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL16797499 0.80 ALDH1A1 (0.36) HTR1DKDM4EMITFLMNAHPGD
SCHEMBL29414143 0.80 CA1 (0.50) DRD2DRD3DRD4LMNAHTT
SCHEMBL5599606 0.80 CA1 (0.50) DRD2DRD3DRD4LMNAHTT
SCHEMBL16167379 0.79 ELANE (0.38) ELANEKDM4EMITFLMNAHPGD
SCHEMBL16335527 0.79 SMN1; SMN2 (0.37) DRD2DRD3HTR1DDRD4ELANE
SCHEMBL17284193 0.79 DRD2 (0.40) DRD2DRD3HTR1DDRD4NPSR1

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
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed