SCHEMBL24739748

SCHEMBL24739748

CNC(=O)c1ccc(C(C)(C)CC(C)(C)CC(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
GRM5 P41594 1/20 0.39
MLYCD O95822 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CA2 P00918 1/20 0.37
PLK1 P53350 4/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
CLK1 P49759 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
SCHEMBL12376582 0.77 BAZ2B (0.53) BAZ2BGRM5CA2PLK1EPHX2
SCHEMBL3550941 0.72 BAZ2B (0.51) BAZ2BGRM5CA2HDAC6HDAC2
SCHEMBL19886206 0.70 MLYCD (0.52) GRM5MLYCDHCAR3HCAR2CLK1
SCHEMBL20442952 0.68 GRM5 (0.44) GRM5MLYCDGRNSORT1
SCHEMBL24571392 0.68 ALDH1A1 (0.50) HCAR3
SCHEMBL12017909 0.67 BAZ2B (0.53) BAZ2BGRM5PLK1HCAR3HDAC6
SCHEMBL20224123 0.67 GRM5 (0.51) GRM5MLYCDHCAR3GRNSORT1
SCHEMBL24571828 0.67 HCAR3 (0.42) GRM5MLYCDCA2HCAR3HDAC6
SCHEMBL23029668 0.66 SMN1; SMN2 (0.41)
SCHEMBL7962334 0.66 BAZ2B (0.74) BAZ2BGRM5PLK1HDAC6HDAC2

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-2022253283-A1 PROTEIN KINASE DEGRADANT AND USE THEREOF 中国科学院上海有机化学研究所 2022-12-08 WO disclosed