SCHEMBL7595952

SCHEMBL7595952

CN(C)c1ccc2ccccc2c1S(=O)(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CA2 P00918 3/20 0.37
▸ G6PD P11413 1/20 0.37
▸ NCEH1 Q6PIU2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL7298973 0.84 G6PD (0.37) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29773602 0.82 CA2 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL726452 0.82 CA2 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2964374 0.80 CHEK1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL1660887 0.79 PAX8 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5608087 0.79 SIGMAR1 (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29827543 0.79 PAX8 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2679932 0.79 CYP2D6 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL30502409 0.79 CYP2D6 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
Hydrochloric Acid SCHEMBL28101819 0.78 EP300 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4

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
WO-2002094769-A1 SOLID REAGENT FOR SAMPLING AND DERIVATIZATION OF CARBONYL COMPOUNDS SEQUANT AB (SE) 2002-11-28 — — WO claimed
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