SCHEMBL2561432

SCHEMBL2561432

COC(=O)Cc1cc(N)ccc1Oc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC1A5 Q15758 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 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
SCHEMBL2560656 0.88 KDM4E (0.49) HSD17B10ALDH1A1KDM4EHPGDSLC6A4
SCHEMBL9159002 0.85 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL2561757 0.83 SLC6A4 (0.47) HSD17B10ALDH1A1KDM4EHPGDHTR2A
SCHEMBL7254516 0.80 SLC6A4 (0.56) ALDH1A1HPGDHTR2ASLC6A4SLC1A5
SCHEMBL2555691 0.79 TBXA2R (0.55) ALDH1A1MAPK1MAPTGAAMEN1
SCHEMBL30104106 0.77 HSD17B10 (0.73) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL4981706 0.77 HSD17B10 (0.73) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL2557947 0.77 SLC6A4 (0.49) HSD17B10ALDH1A1KDM4EHPGDHTR2A
SCHEMBL8144382 0.77 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDMAPK1
SCHEMBL1624350 0.76 GAA (0.61) ALDH1A1KDM4EHPGDMAPK1MAPT

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed