SCHEMBL366188

SCHEMBL366188

COC(=O)c1c2ccccc2n2cc([S+]([O-])CCN(C)C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
EGFR P00533 2/20 0.36
SRC P12931 2/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
PTGER4 P35408 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33

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 0.87 KMT2A (0.41) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL365899 0.87 LMNA (0.40) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL366187 0.83 MAPT (0.42) GAAKMT2AMEN1LMNASMN1; SMN2
SCHEMBL364533 0.82 NR4A2 (0.45) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL364219 0.79 ALDH1A1 (0.47) GAAKMT2AMEN1ALDH1A1EGFR
SCHEMBL365522 0.77 MEN1 (0.41) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL366412 0.76 ALDH1A1 (0.49) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL361357 0.75 EGFR (0.51) GAAALDH1A1EGFRSRCKDM4E
SCHEMBL365901 0.73 NR4A2 (0.39) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL364787 0.73 KMT2A (0.45) NR4A2GAAKMT2AMEN1LMNA

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