SCHEMBL9878737

SCHEMBL9878737

Cc1cccc(O)c1C1=NN(C)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PTGS1 P23219 2/20 0.38
USP2 O75604 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPN P05981 1/20 0.38
ALOX5 P09917 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGS2 P35354 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
SCHEMBL9879128 0.81 MEN1 (0.49) ALDH1A1MAPTTDP1MEN1CYP3A4
SCHEMBL9879215 0.78 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL10382652 0.77 MAPT (0.55) ALDH1A1MAPTTDP1MEN1CYP3A4
SCHEMBL8625894 0.69 MAOB (0.42) ALDH1A1TDP1KMT2ATHRBL3MBTL1
SCHEMBL12297731 0.69 GAA (0.44) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL109980 0.68 TRPA1 (0.62) ALDH1A1MAPTTDP1MEN1CYP3A4
SCHEMBL31521298 0.68 TRPA1 (0.62) ALDH1A1MAPTTDP1MEN1CYP3A4
SCHEMBL29763174 0.68 TRPA1 (0.62) ALDH1A1MAPTTDP1MEN1CYP3A4
SCHEMBL8619935 0.67 CD274 (0.54) ALDH1A1MAPTTDP1KMT2ATHRB
SCHEMBL11704123 0.66 RAB9A (0.44) MEN1KMT2APDE4AATMRECQL

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