SCHEMBL9016795

SCHEMBL9016795

C[S+]([O-])c1sc2ccccc2c(=O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MAPT P10636 8/20 0.36
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
HCRTR1 O43613 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
GAA P10253 4/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9000153 0.73 IDO1 (0.44) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL9016796 0.73 GRIA4 (0.45) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL9865595 0.71 PSMB8 (0.38) ALDH1A1KDM4EL3MBTL1MAPK1NPSR1
SCHEMBL11260561 0.70 GRIA4 (0.40) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL9016732 0.68 MPI (0.46) ALDH1A1MAPTKDM4EL3MBTL1LMNA
Water SCHEMBL8091139 0.67 GPR3 (0.65) ALDH1A1MAPTKDM4EL3MBTL1NPC1
Water SCHEMBL27930773 0.67 GPR3 (0.65) ALDH1A1MAPTKDM4EL3MBTL1NPC1
Water SCHEMBL28769669 0.65 KDM4E (0.62) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL12750484 0.65 GPR3 (0.44) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL4696033 0.65 GPR3 (0.68) ALDH1A1MAPTKDM4EL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed