SCHEMBL9056882

SCHEMBL9056882

CSc1c(OOC(C)=O)ccc2c3ccccc3n(Cc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL9056754 0.89 MEN1 (0.47) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL8388167 0.84 MEN1 (0.47) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL8387072 0.82 PTGES2 (0.42) MEN1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL8388094 0.81 MEN1 (0.48) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL8390344 0.80 MCL1 (0.50) MEN1KMT2AMCL1LMNASMN1; SMN2
SCHEMBL8388328 0.78 P2RX4 (0.49) MEN1KMT2AKDM4ELMNANPSR1
SCHEMBL8386942 0.77 MEN1 (0.52) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL8388825 0.76 MEN1 (0.50) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL8390661 0.76 MEN1 (0.47) MEN1KMT2AMCL1KDM4EL3MBTL1
SCHEMBL9056067 0.75 MAPT (0.46) MEN1KMT2AMCL1KDM4EL3MBTL1

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