SCHEMBL7112477

SCHEMBL7112477

CCn1c(N)cc(N)nc1=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RAD52 P43351 1/20 0.34
NOS1 P29475 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 4/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ALOX15 P16050 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
SCHEMBL9021593 0.85 POLB (0.38) NOS2NOS3CYP1A2CYP2D6KDM4E
SCHEMBL9021289 0.82 DYRK1A (0.42) NOS2ADORA2AADORA2BADORA1GAA
SCHEMBL9021891 0.76 ADORA3 (0.36) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL8871239 0.72 NOS3 (0.33) NOS2NOS3NOS1
SCHEMBL9322757 0.72 CYP1A2 (0.42) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL8871376 0.70 NOS3 (0.30) NOS2NOS3NOS1MAPTTDP1
SCHEMBL9703916 0.68
SCHEMBL9322770 0.67 CYP1A2 (0.40) CYP1A2CYP2D6HTTKDM4EADORA3
SCHEMBL5131371 0.66 ALDH1A1 (0.45) CYP1A2CYP2D6HTTKDM4ERAD52
SCHEMBL9409353 0.65 HSD17B10 (0.33) CYP1A2CYP2D6HTTKDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299397-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME LG Life Sciences Ltd. (KR) 2003-04-09 EP disclosed
WO-2002004464-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME LG LIFE SCIENCES LTD (KR) 2002-01-17 WO disclosed
EP-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5462935-A Antibiotic LUCKY LIMITED (KR) 1995-10-31 US disclosed
EP-0449515-B1 Novel cephalosporin intermediates and process for preparing the intermediates and their end products LUCKY LTD (KR) 1995-05-24 EP disclosed
EP-0543819-A1 CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY LTD. (KR) 1993-06-02 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
US-5142041-A Antibiotics, bactericides LUCKY, LTD. (KR) 1992-08-25 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
WO-1992003445-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY LTD. (KR) 1992-03-05 WO disclosed
EP-0449515-A2 Novel cephalosporin intermediates and process for preparing the intermediates and their end products LUCKY, LTD. (KR) 1991-10-02 EP disclosed
EP-0397511-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY, LTD. (KR) 1990-11-14 EP disclosed