SCHEMBL9879128

SCHEMBL9879128

COc1cccc(O)c1C1=NN(C)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EGFR P00533 1/20 0.44
PIM1 P11309 1/20 0.44
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 2/20 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
SCHEMBL9879215 0.85 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9878737 0.81 ALDH1A1 (0.38) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL9536843 0.79 MAPT (0.48) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL9879241 0.73 MEN1 (0.50) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL11022631 0.69 TP53 (0.67) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL12775753 0.69 ALDH1A1 (0.71) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL8621001 0.67 KMT2A (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12989008 0.67 PDCD1 (0.50) MEN1KMT2AALOX15HSD17B10PDCD1
SCHEMBL7786291 0.66 MEN1 (1.00) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL11797236 0.66 EGFR (0.84) MEN1KMT2AEGFRPIM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991012255-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-22 WO disclosed