SCHEMBL3043391

SCHEMBL3043391

Nc1cccc(S(=O)(=O)O)c1C=C(c1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PTGS2 P35354 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
PIK3CA P42336 1/20 0.40
GAA P10253 1/20 0.40
GBA1 P04062 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8573230 0.88 LMNA (0.53) CA12CA1CA2CA9LMNA
SCHEMBL5494964 0.84 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL8548722 0.81 CA12 (0.55) CA12CA1CA2CA9LMNA
SCHEMBL29437100 0.80 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL5190368 0.80 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL4778062 0.76 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL8672964 0.75 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL8663701 0.75 LMNA (0.51) CA12CA1CA2CA9LMNA
SCHEMBL461641 0.71 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL8823211 0.71 CA12 (0.64) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159632-A Perfume and perfume mixture 西姆莱斯股份公司 2024-06-07 CN disclosed
CN-113710331-B Antimicrobial mixture 西姆莱斯股份公司 2024-03-22 CN disclosed
CN-112702914-B Antimicrobial mixtures containing at least one hydroxyacetophenone derivative 西姆莱斯股份公司 2024-01-30 CN disclosed
CN-117204426-A Antimicrobial mixtures 德国德之馨香精香料公司 2023-12-12 CN disclosed
CN-116964186-A Toilet edge block with smell change 西姆莱斯股份公司 2023-10-27 CN disclosed
CN-116806825-A Antimicrobial mixture 西姆莱斯股份公司 2023-09-29 CN disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-113543637-B Antimicrobial mixture 西姆莱斯股份公司 2023-07-14 CN disclosed
EP-3676258-A1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2020-07-08 EP disclosed
EP-3676257-A1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2020-07-08 EP disclosed
EP-3676269-A1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2020-07-08 EP disclosed
EP-3625318-A1 COLOR-PROTECTING DETERGENTS Henkel AG & Co. KGaA (DE) 2020-03-25 EP disclosed
EP-3221441-B1 WATER-SOLUBLE PACKAGED UNIT DOSE DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2019-08-07 EP disclosed
EP-3303572-B1 DETERGENTS WITH IMPROVED DETERGENT POWER, CONTAINING AT LEAST ONE LACCASE HENKEL AG & CO KGAA (DE) 2019-08-07 EP disclosed
WO-2010039484-A1 LIQUID DETERGENT COMPOSITIONS EXHIBITING TWO OR MULTICOLOR EFFECT THE PROCTER & GAMBLE COMPANY (US) 2010-04-08 WO disclosed
EP-2169041-A1 Liquid detergent compositions exhibiting two or multicolor effect The Procter and Gamble Company (US) 2010-03-31 EP disclosed
EP-1773974-A1 SOFTENING LAUNDRY DETERGENT Unilever Plc (GB) 2007-04-18 EP disclosed
WO-2006012984-A1 SOFTENING LAUNDRY DETERGENT UNILEVER PLC (GB) 2006-02-09 WO disclosed
EP-0847440-A1 FIGURATIVELY SHAPED AND COMPACTED WASHING AND CLEANING PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 1998-06-17 EP disclosed
WO-1997008290-A1 FIGURATIVELY SHAPED AND COMPACTED WASHING AND CLEANING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-03-06 WO disclosed