SCHEMBL30908290

SCHEMBL30908290

COC(=O)c1ccc2nc(C)c(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
BRD4 O60885 2/20 0.55
PARP1 P09874 3/20 0.53
CSNK2A1 P68400 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
DYRK1A Q13627 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL16938454 0.89 BRD4 (0.61) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL14473810 0.86 PKN1 (0.62) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL4243540 0.84 HSP90AA1 (0.69) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL27077574 0.84 TDP1 (0.69) KDM4EALDH1A1PARP1HSP90AA1ESR2
SCHEMBL29396281 0.83 HTT (0.59) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL22963740 0.83 HTT (0.59) KDM4EALDH1A1HTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL7324046 0.82 HSP90AA1 (0.68) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL22912783 0.82 KDM4E (0.57) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL22963743 0.81 HTT (0.56) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL29397532 0.81 HTT (0.56) KDM4EALDH1A1HTTLMNAL3MBTL1

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed