SCHEMBL8008550

SCHEMBL8008550

C=CC(=O)n1c(SCc2nccc(SCc3ccco3)c2C)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.42
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL8008541 0.89 LMNA (0.41) PTGDR2TSHRLMNAMAPTKDM4E
SCHEMBL8015434 0.86 PSMD14 (0.39) PTGDR2TSHRLMNAMAPTKDM4E
SCHEMBL8008406 0.80 LMNA (0.38) PTGDR2TSHRLMNAMAPTKDM4E
SCHEMBL8010563 0.79 HDAC3 (0.47) PTGDR2TSHRLMNAMAPTNPSR1
SCHEMBL8008219 0.71 RAB9A (0.56) LMNANPSR1SMN1; SMN2HPGDALDH1A1
SCHEMBL5109272 0.71 CYP3A4 (0.52) PTGDR2MAPTATMALDH1A1CYP3A4
SCHEMBL8008921 0.71 PKM (0.43) TSHRLMNAMAPTNPSR1KDM4E
SCHEMBL7011260 0.70 NPSR1 (0.40) TSHRLMNAMAPTNPSR1KDM4E
SCHEMBL8914024 0.70 L3MBTL1 (0.45) MAPTKDM4EHPGDALDH1A1
SCHEMBL8914183 0.70 GAA (0.50) TSHRMAPTNPSR1KDM4EHPGD

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-6107312-A BACTERICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-22 US disclosed