SCHEMBL24455201

SCHEMBL24455201

CC(C)(C)OC(=O)NCCN(CCN)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
IDO1 P14902 2/20 0.44
MALT1 Q9UDY8 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SIGMAR1 Q99720 2/20 0.40
BCHE P06276 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
LIMK2 P53671 1/20 0.40
NQO2 P16083 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17532685 0.94 CKS1B (0.53) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL9743741 0.87 CKS1B (0.50) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL9540577 0.86 CKS1B (0.49) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL24795927 0.82 CKS1B (0.52) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL18342083 0.81 MEN1 (0.46) CKS1BSKP1SKP2IDO1CA12
SCHEMBL24340866 0.81 CKS1B (0.43) CKS1BSKP1SKP2CA12CA1
SCHEMBL17532689 0.80 HPGD (0.46) CKS1BSKP1SKP2IDO1CA12
SCHEMBL24455218 0.79 KMT2A (0.52) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL22833183 0.79 CTSL (0.54) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL17532693 0.79 NQO2 (0.49) CKS1BSKP1SKP2IDO1MALT1

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
WO-2022108507-A1 Chemoselective probes and uses thereof LIN WEIFENG (SE) 2022-05-27 WO disclosed
WO-2022108507-A1 Chemoselective probes and uses thereof LIN WEIFENG (SE) 2022-05-27 WO disclosed