SCHEMBL365899

SCHEMBL365899

COCC[S+]([O-])c1ccc2c(C(=O)OC)c3ccccc3n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NR4A2 P43354 4/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL366181 0.89 KMT2A (0.41) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL366188 0.87 NR4A2 (0.39) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL364533 0.83 NR4A2 (0.45) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL365898 0.83 MAPT (0.43) LMNASMN1; SMN2GAAKMT2AMEN1
SCHEMBL366858 0.76 KMT2A (0.43) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL364742 0.76 LMNA (0.43) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL364296 0.75 ALDH1A1 (0.49) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL367527 0.74 NR4A2 (0.41) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL364927 0.74 SRC (0.51) LMNASMN1; SMN2NR4A2GAAKMT2A
SCHEMBL364931 0.74 NR4A2 (0.50) LMNASMN1; SMN2NR4A2GAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed