SCHEMBL31389475

SCHEMBL31389475

CCOC(=O)c1nc2c(s1)CCCC2C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
CXCR4 P61073 6/20 0.41
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 1/20 0.40
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL31389581 0.78 CXCR2 (0.39) CXCR2KDM4EALDH1A1GAAHSD17B10
SCHEMBL8005977 0.76 PARP1 (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL12922693 0.76 PARP1 (0.53) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL31389424 0.73 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL18226589 0.72 MAPT (0.44) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL15160575 0.71 HRH3 (0.37) HTT
SCHEMBL27118838 0.71 HRH3 (0.37) HTT
SCHEMBL21260782 0.70 CXCR2 (0.69) CXCR2KDM4EALDH1A1TSHRCXCR4
SCHEMBL14942591 0.69 PDK1 (0.48) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3911820 0.69 GAA (0.61) CXCR2KDM4EALDH1A1GAAHSD17B10

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