SCHEMBL9879241

SCHEMBL9879241

COc1cccc(O)c1C1=NNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EGFR P00533 1/20 0.46
PIM1 P11309 1/20 0.46
AXL P30530 1/20 0.44
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL9879128 0.73 MEN1 (0.49) MEN1KMT2AEGFRPIM1CYP3A4
SCHEMBL9878571 0.70 AXL (0.58) MEN1KMT2AAXLALDH1A1MAPT
SCHEMBL11022631 0.70 TP53 (0.67) MEN1KMT2AEGFRPIM1CYP3A4
SCHEMBL12775753 0.70 ALDH1A1 (0.71) MEN1KMT2AEGFRPIM1CYP3A4
SCHEMBL3775165 0.69 PDE4B (0.76) AXLCYP3A4MAPK1MAPTKDM4E
SCHEMBL7260323 0.68 CRBN (0.48) AXLCYP3A4MAPK1ALDH1A1MAPT
SCHEMBL11634644 0.68 PDE3A (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL11797236 0.67 EGFR (0.84) MEN1KMT2AEGFRPIM1CYP3A4
SCHEMBL7786291 0.67 MEN1 (1.00) MEN1KMT2AEGFRPIM1CYP3A4
SCHEMBL9536843 0.67 MAPT (0.48) MEN1KMT2AEGFRPIM1ALDH1A1

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