SCHEMBL365879

SCHEMBL365879

COC(=O)c1c2ccccc2n2cc(SC(C)=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 3/20 0.43
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
MAPT P10636 2/20 0.38
IDO1 P14902 1/20 0.38
BRD4 O60885 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL365370 0.87 NPC1 (0.47) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL364742 0.81 LMNA (0.43) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL364929 0.81 NR4A2 (0.41) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL364281 0.80 NR4A2 (0.48) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL365878 0.80 MAPT (0.45) KMT2AMEN1EGFRSRCALDH1A1
SCHEMBL364931 0.80 NR4A2 (0.50) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL364927 0.80 SRC (0.51) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL365565 0.79 KMT2A (0.52) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL364339 0.77 KMT2A (0.49) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL366348 0.76 NR4A2 (0.47) NR4A2KMT2AMEN1EGFRSRC

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 disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed