SCHEMBL29772802

SCHEMBL29772802

Cc1ccc(S(=O)(=O)n2c(-c3c[nH]nc3F)cc3c(Cl)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
HTR6 P50406 1/20 0.33
CCKAR P32238 1/20 0.32
COMT P21964 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL29772742 0.82 PTGDR2 (0.39) PTGDR2TP53KDM4EALDH1A1HTT
SCHEMBL29772766 0.80 NPC1 (0.37) PTGDR2TP53KDM4EALDH1A1HTT
SCHEMBL1748604 0.78 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1HTTNPSR1
SCHEMBL21490844 0.78 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1HTTNPSR1
SCHEMBL1777928 0.78 MAPT (0.48) PTGDR2TP53KDM4EHTTLMNA
SCHEMBL16546220 0.77 PTGS2 (0.46) PTGDR2ALDH1A1
SCHEMBL30726581 0.76 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1HTTNPSR1
SCHEMBL2991481 0.76 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1HTTNPSR1
SCHEMBL29772816 0.75 PTGDR2 (0.35) PTGDR2KDM4EALDH1A1HTTNPSR1
SCHEMBL1748718 0.75 PTGDR2 (0.39) PTGDR2TP53KDM4EALDH1A1HTT

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
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 CN disclosed
EP-4274832-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2023-11-15 EP disclosed
WO-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed