SCHEMBL9021891

SCHEMBL9021891

C=CCn1c(N)cc(N)nc1=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 3/20 0.34
APOBEC3G Q9HC16 2/20 0.34
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7112477 0.76 NOS2 (0.34) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL10897138 0.68 CYP3A4 (0.42) ADORA2AADORA2BMAPTTDP1SMN1; SMN2
SCHEMBL8871376 0.66 NOS3 (0.30) MAPTTDP1
SCHEMBL30309940 0.66 RAB9A (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL9703916 0.65
SCHEMBL8871239 0.65 NOS3 (0.33)
SCHEMBL476495 0.63 CYP3A4 (0.56) ADORA2AADORA2BMAPTTDP1SMN1; SMN2
SCHEMBL9305415 0.62 ALDH1A1 (0.44) MAPTTDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL10282695 0.61 CYP3A4 (0.52) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL3885015 0.61 CYP3A4 (0.54) ADORA3ADORA2AADORA2BSMN1; SMN2ALDH1A1

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-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
EP-0397511-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY, LTD. (KR) 1990-11-14 EP disclosed