SCHEMBL365054

SCHEMBL365054

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.46
KMT2A Q03164 8/20 0.44
MEN1 O00255 3/20 0.44
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
BRD4 O60885 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 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
SCHEMBL364933 0.85 NR4A2 (0.42) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL366730 0.84 NR4A2 (0.43) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL365444 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL366305 0.81 NR4A2 (0.41) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL364927 0.81 SRC (0.51) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL364931 0.81 NR4A2 (0.50) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL365565 0.80 KMT2A (0.52) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL365053 0.80 IDO1 (0.48) KMT2AMEN1IDO1KDM4EALDH1A1
SCHEMBL365901 0.79 NR4A2 (0.39) NR4A2KMT2AMEN1IDO1KDM4E
SCHEMBL364281 0.78 NR4A2 (0.48) NR4A2KMT2AMEN1KDM4EALDH1A1

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