SCHEMBL30096384

SCHEMBL30096384

CN(C)c1cccc2c(S(=O)O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ F2 P00734 3/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ KAT8 Q9H7Z6 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 3/20 0.41

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
SCHEMBL13596539 0.84 MAPT (0.47) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL8720110 0.77 CHEK1 (0.65) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL30364675 0.75 CYP1A2 (0.43) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL23920892 0.74 CHEK1 (0.44) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL11420866 0.73 CYP1A2 (0.52) CYP1A2HIF1ATDP1KMT2AATM
SCHEMBL19562331 0.72 MAPT (0.36) MAPT
SCHEMBL30096382 0.71 CYP1A2 (0.54) CYP1A2CYP2C19TDP1TSHRKMT2A
SCHEMBL347056 0.70 CYP1A2 (0.44) CA2CYP1A2TDP1L3MBTL1GAA
SCHEMBL3582015 0.70 EP300 (0.73) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL30785066 0.70 CYP1A2 (0.44) CA2CYP1A2TDP1L3MBTL1GAA

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
EP-4110397-A1 SYSTEMS AND METHODS FOR PROTECTING NUCLEIC-ACID MOLECULES The Board of Trustees of the Leland Stanford Junior University (US) 2023-01-04 — — EP disclosed
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