SCHEMBL29890839

SCHEMBL29890839

CS(=O)(=O)Nc1nc(Cl)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
MAT2A P31153 1/20 0.35
KEAP1 Q14145 2/20 0.34
ABL1 P00519 1/20 0.33
GLO1 Q04760 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL20470651 1.00 KIF11 (0.37) KIF11MAT2AKEAP1ABL1GLO1
SCHEMBL19341424 0.75 JAK2 (0.32) MAT2AMAPK1
SCHEMBL5091991 0.75 MAPT (0.55) HTTMAPK1SMN1; SMN2CA1CA2
SCHEMBL20517853 0.70 PIK3CD (0.43) KIF11KEAP1GLO1HTTALOX15
SCHEMBL12509815 0.70 RXFP1 (0.37) HPGDHTTGAAKDM4EALDH1A1
SCHEMBL20470650 0.69 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL29890833 0.69 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL1474163 0.69 GLO1 (0.42) KIF11KEAP1GLO1HTTALOX15
SCHEMBL30360636 0.69
SCHEMBL2912664 0.67 ALDH1A1 (0.50) KEAP1GLO1HPGDHTTGAA

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-4200015-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2023-06-28 EP disclosed
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 CN disclosed
CN-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 CN disclosed