SCHEMBL30953875

SCHEMBL30953875

CC(C)(C)C(=O)Oc1ccc2c(c1)OCc1sc(N)nc1-2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.45
ADORA1 P30542 4/20 0.42
CA2 P00918 5/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MPI P34949 1/20 0.40
FBP1 P09467 3/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30953739 0.82 ADORA1 (0.61) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953827 0.76 LMNA (0.48) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL30953763 0.73 KDM4E (0.65) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953632 0.73 KDM4E (0.65) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953677 0.72 KDM4E (0.61) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953825 0.72 KDM4E (0.60) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL15075787 0.70 KDM4E (0.56) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL9206837 0.70 KDM4E (1.00) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL20179643 0.69 GRM5 (0.63) ALDH1A1MAPTMEN1KMT2AHSD17B10
Iodide SCHEMBL4960911 0.69 KDM4E (0.97) KDM4EALDH1A1LMNAGAAHTT

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-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed