SCHEMBL30669408

SCHEMBL30669408

N#Cc1ccc(CCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
CTBP2 P56545 1/20 0.41
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL2961510 0.83 CYP2A6 (0.46) CYP19A1MAPTCA1CA2CA9
SCHEMBL10627723 0.78 ESR1 (0.50) MAPTCA1CA2CA9CA12
SCHEMBL27521309 0.78 MAPT (0.56) CYP19A1MAPTCA1CA2CA9
SCHEMBL28953874 0.77 CYP19A1 (0.46) CYP19A1MAPTCA1CA2CA9
Sulfuric Acid SCHEMBL27373728 0.77 CA2 (0.48) CYP19A1MAPTCA1CA2CA9
SCHEMBL9002486 0.77 RECQL (0.48) CYP19A1CA1CA2CA9CA12
SCHEMBL2687935 0.77 CA1 (0.43) MAPTCA1CA2CA9CA12
SCHEMBL3373578 0.76 CA1 (0.66) MAPTCA1CA2CA9CA12
SCHEMBL5866144 0.75 BCHE (0.55) CYP19A1MAPTCA1CA2CA9
SCHEMBL11617640 0.75 LOXL2 (0.52) CYP19A1CA2CA9CA12KCNJ1

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-117164505-A Method for synthesizing organic sulfate by dialkyl sulfate or pyrosulfate 湖南大学 2023-12-05 CN disclosed