SCHEMBL31389424

SCHEMBL31389424

CCOC(=O)c1nc2c(s1)CCC(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
POLB P06746 2/20 0.46
KLF5 Q13887 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDK1 Q15118 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8005977 0.79 PARP1 (0.50) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL12922693 0.79 PARP1 (0.53) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL14942591 0.77 PDK1 (0.48) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31389935 0.76 PDK1 (0.47) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31389475 0.73 CXCR2 (0.44) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31389784 0.73 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31389581 0.73 CXCR2 (0.39) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31389554 0.73 MAPT (0.55) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL977531 0.71 ADORA1 (0.52) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL15980352 0.71 PDK1 (0.46) KDM4EALDH1A1MAPTHSD17B10HPGD

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed