SCHEMBL30936628

SCHEMBL30936628

CCCN(C)c1ccccc1N

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
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.36
AOC1 P19801 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3542027 1.00 CHEK1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11320774 0.88 CYP1A2 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29986635 0.86 CYP1A2 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL755230 0.83 HRH3 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5637004 0.83 CHEK1 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL30450577 0.83 CHEK1 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2896836 0.81 DRD3 (0.38) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2977480 0.80 HTR2A (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL14350994 0.80 ALDH1A1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL16117779 0.79 CYP3A4 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608389-A2 SUBSTITUTED PHENYLBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF Nine Square Therapeutics Corporation (US) 2025-09-03 EP disclosed
WO-2024092235-A2 SUBSTITUTED PHENYLBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF NINE SQUARE THERAPEUTICS CORPORATION (US) 2024-05-02 WO disclosed