SCHEMBL28407614

SCHEMBL28407614

O=S(=O)(ONc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1C=Cc1ccccc1S(=O)(=O)ONc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.[NaH].[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
LMNA P02545 5/20 0.57
HTT P42858 2/20 0.57
POLB P06746 2/20 0.51
MAPT P10636 8/20 0.47
TP53 P04637 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PIKFYVE Q9Y2I7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL4776723 0.99 LMNA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL4776712 0.99 LMNA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL4776717 0.94 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL16269714 0.84 MAPT (0.44) CA12CA1CA2CA9LMNA
SCHEMBL9062886 0.84 MAPT (0.44) CA12CA1CA2CA9LMNA
SCHEMBL28524142 0.82 MAPT (0.44) CA12CA1CA2CA9HTT
SCHEMBL8406469 0.82 LMNA (0.54) CA12CA1CA2CA9LMNA
SCHEMBL8548726 0.82 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL28525192 0.81 MAPT (0.45) CA12CA1CA2CA9HTT
SCHEMBL28965738 0.80 TTR (0.40) CA12CA1CA2CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661521-B Microencapsulation of detergent components 诺维信公司 2021-05-07 CN disclosed
CN-111386340-A Detergent compositions comprising polypeptide variants 宝洁公司 2020-07-07 CN disclosed
CN-111247245-A Detergent compositions comprising polypeptide variants 宝洁公司 2020-06-05 CN disclosed
CN-111108195-A Detergent compositions comprising lipase 宝洁公司 2020-05-05 CN disclosed