SCHEMBL365826

SCHEMBL365826

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NR4A2 P43354 5/20 0.46
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 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
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
PTGER4 P35408 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
SCHEMBL365427 0.88 ALDH1A1 (0.48) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL366738 0.87 KMT2A (0.46) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL364787 0.86 KMT2A (0.45) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL364186 0.85 KMT2A (0.44) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL367707 0.85 EGFR (0.44) KMT2AMEN1LMNASMN1; SMN2EGFR
SCHEMBL367747 0.85 AGTR1 (0.48) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL366858 0.83 KMT2A (0.43) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL365722 0.81 PTGDR2 (0.35) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL365522 0.81 MEN1 (0.41) KMT2AMEN1NR4A2IDO1ALDH1A1
SCHEMBL364927 0.81 SRC (0.51) KMT2AMEN1NR4A2ALDH1A1KDM4E

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