SCHEMBL31467009

SCHEMBL31467009

COC(=O)c1ccc(C2CCCC2)c2c1NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
RIPK1 Q13546 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR5A P47898 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL26984319 1.00 PARP1 (0.40) PARP1PDK2PDK4KDM4EALDH1A1
SCHEMBL29322206 0.80 PARP1 (0.37) PARP1NPSR1DRD2DRD4DRD3
SCHEMBL5328082 0.79 PARP1 (0.53) PARP1KDM4E
SCHEMBL3500989 0.75 PARP1 (0.44) PARP1PDK2PDK4KDM4EALDH1A1
SCHEMBL29322208 0.74 PARP1 (0.38) PARP1
SCHEMBL12599964 0.74 KDM4E (0.38) PARP1PDK2PDK4KDM4EALDH1A1
SCHEMBL13312001 0.73 PARP1 (0.43) PARP1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL3630293 0.72 SRC (0.50) PARP1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL12620162 0.70 KDM4E (0.37) PARP1PDK2PDK4KDM4EALDH1A1
SCHEMBL14774736 0.70 ALOX5 (0.43) PARP1KDM4EALDH1A1HSD17B10DRD2

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
CN-119677716-A Pharmaceutical compositions comprising WRN helicase inhibitors 维维迪恩医疗公司 2025-03-21 CN disclosed