SCHEMBL9056364

SCHEMBL9056364

CC(=O)Oc1cc(C)c2c3ccccc3n(C)c2c1SC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
ATM Q13315 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
EGFR P00533 3/20 0.35
SRC P12931 3/20 0.35
CCNE2 O96020 1/20 0.35

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
SCHEMBL9056823 0.87 KDM4E (0.46) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL9056342 0.83 ELANE (0.42) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL9055675 0.83 PTGS2 (0.45) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL9056613 0.82 KDM4E (0.40) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL8389295 0.78 PTGDR2 (0.44) KDM4EMAPTALDH1A1HSD17B10LMNA
SCHEMBL8390962 0.77 HTT (0.41) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL9056084 0.76 KDM4E (0.44) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL8387479 0.72 ELANE (0.44) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL8801802 0.72 ELANE (0.42) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8802237 0.71 MEN1 (0.47) KDM4EMAPTHTTALDH1A1GAA

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-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed