SCHEMBL4418729

SCHEMBL4418729

COc1cc(OC(=O)c2ccsc2)ccc1-c1ccc2c(c1C(O)C(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 4/20 0.39
TP53 P04637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NR3C1 P04150 11/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
PGR P06401 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
G6PD P11413 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL4423368 0.87 MAPT (0.39) MAPTLMNAHTTTP53NPSR1
SCHEMBL2351050 0.86 MAPT (0.39) MAPTLMNAHTTTP53NPSR1
SCHEMBL2351046 0.86 MAPT (0.40) MAPTLMNAHTTTP53NPSR1
SCHEMBL12521759 0.85 MAPT (0.36) MAPTLMNAHTTTP53NPSR1
SCHEMBL17667944 0.85 MAPT (0.39) MAPTLMNAHTTTP53NPSR1
SCHEMBL1782668 0.84 MAPT (0.40) MAPTLMNAHTTTP53NPSR1
SCHEMBL13571760 0.83 IL6 (0.41)
SCHEMBL1313918 0.81 MAPT (0.42) MAPTLMNAHTTTP53NPSR1
SCHEMBL2545695 0.78 NR3C1 (0.38) MAPTLMNAHTTTP53NPSR1
SCHEMBL2350297 0.75 HTT (0.41) MAPTLMNAHTTTP53NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085389-B1 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
EP-2085389-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP disclosed