SCHEMBL30296808

SCHEMBL30296808

Cc1ccc(S(=O)(=O)n2c(CBr)cc3nc(Cl)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 1/20 0.45
LMNA P02545 4/20 0.45
NOD1 Q9Y239 3/20 0.44
GAA P10253 2/20 0.44
CXCL8 P10145 1/20 0.44
NOD2 Q9HC29 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARA Q07869 1/20 0.38
NMT1 P30419 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 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
SCHEMBL26620188 1.00 ALDH3A1 (0.46) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL30296816 0.88 PPARG (0.47) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL26620218 0.88 PPARG (0.47) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL7214465 0.88 PPARG (0.46) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL3531055 0.81 PPARG (0.71) PPARGPPARDPPARA
SCHEMBL16235830 0.76 PPARG (0.46) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL26620160 0.76 NOD1 (0.64) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL30647189 0.76 NOD1 (0.57) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL7116279 0.76 NOD1 (0.57) ALDH3A1PPARGPPARDLMNANOD1
SCHEMBL7213488 0.75 PPARG (0.48) ALDH3A1PPARGPPARDLMNANOD1

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-4402143-A1 SPIROCYCLIC COMPOUNDS Astrazeneca AB (SE) 2024-07-24 EP disclosed
CN-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 CN disclosed
WO-2023036974-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-03-16 WO disclosed