SCHEMBL8914183

SCHEMBL8914183

CCOC(=O)n1c(SCc2nccc(SCCN3CCOCC3)c2C)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
PSMD14 O00487 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8914024 0.93 L3MBTL1 (0.45) GAAPSMD14L3MBTL1MAPTALDH1A1
SCHEMBL5109272 0.86 CYP3A4 (0.52) MAPTALDH1A1
SCHEMBL8916260 0.84 MAPT (0.54) GAAL3MBTL1TSHRMAPTALDH1A1
SCHEMBL8915650 0.84 CYP3A4 (0.48) GAAL3MBTL1POLBMAPTALDH1A1
SCHEMBL5120357 0.83 PDE10A (0.42) L3MBTL1MAPTALDH1A1KDM4EPDE10A
SCHEMBL8914486 0.83 KDM4E (0.49) L3MBTL1KMT2ARAB9AMEN1MAPT
SCHEMBL5106665 0.83 PDE10A (0.43) L3MBTL1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8914963 0.81 L3MBTL1 (0.43) GAAPSMD14L3MBTL1TSHRKMT2A
SCHEMBL8915967 0.76 ALDH1A1 (0.40) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL8502779 0.75 TSHR (0.60) GAAPSMD14L3MBTL1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP claimed
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed