SCHEMBL6427112

SCHEMBL6427112

CC(C)(C)C(=O)OCn1c(=O)[nH]c2nc(N3CCN(C(=O)O)C(C(C)(C)C)C3)n(-c3ccccc3Cl)c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
GRM5 P41594 1/20 0.33
DPP4 P27487 8/20 0.32
THRB P10828 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL6414889 0.89 HSD17B10 (0.41) HSD17B10TSHRMAPTALDH1A1TDP1
SCHEMBL6422392 0.89
SCHEMBL5772185 0.84 HIF1A (0.36) TSHRMAPTALDH1A1TDP1GAA
SCHEMBL2957517 0.83 MAPT (0.43) HSD17B10TSHRMAPTMEN1KMT2A
SCHEMBL6409570 0.75 MAOB (0.38) HSD17B10TSHRMAPTALDH1A1GAA
SCHEMBL6425261 0.75 ALDH1A1 (0.52) TSHRMAPTALDH1A1TDP1DPP4
SCHEMBL6424057 0.75 DPP4 (0.39) TSHRALDH1A1DPP4
SCHEMBL6423053 0.74 ALDH1A1 (0.38) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL6424223 0.74 MEN1 (0.41) TSHRMAPTALDH1A1TDP1MEN1
SCHEMBL5719564 0.73 TSHR (0.38) HSD17B10TSHRMAPTALDH1A1MEN1

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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed