SCHEMBL9307968

SCHEMBL9307968

O=C(O)CN(CC(=O)O)Cc1cc(C(=O)c2cccc(N=C=S)c2)cc(CN(CC(=O)O)CC(=O)O)c1O.[Tb]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
PLCG1 P19174 1/20 0.34
RAB9A P51151 1/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
FASN P49327 1/20 0.33
MIF P14174 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RY6 Q15077 2/20 0.32

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
SCHEMBL4623107 0.99 HSD17B10 (0.36) HSD17B10ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL9307985 0.88 FASN (0.32) HSD17B10ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL5853906 0.80 GABRA1 (0.44) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL3973204 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL13123474 0.76 ATM (0.57) HSD17B10ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL14496266 0.73 PTGS2 (0.47) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL8095440 0.73 THRB (0.37) HSD17B10ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL687302 0.70 MIF (0.52) HSD17B10ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL9278053 0.69 P2RY6 (0.52) HSD17B10MIFTDP1P2RY6CYP3A4
Edetic Acid SCHEMBL5162768 0.69 MIF (0.57) HSD17B10MIFTDP1P2RY6ALOX15

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
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed