SCHEMBL9056342

SCHEMBL9056342

CC(=O)Oc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1SC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
PLA2G2A P14555 5/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 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
SCHEMBL8801802 0.89 ELANE (0.42) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8802237 0.89 MEN1 (0.47) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8801975 0.87 ELANE (0.44) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8804133 0.85 ELANE (0.42) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL9056364 0.83 KDM4E (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8802009 0.83 MEN1 (0.46) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL9057939 0.83 MEN1 (0.47) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8802865 0.83 ELANE (0.44) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8390532 0.82 PTGES2 (0.44) ELANEMEN1KMT2AMAPTKDM4E
SCHEMBL8388054 0.82 MEN1 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1

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