SCHEMBL7563183

SCHEMBL7563183

Nc1ccnc(SCCl)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.35
SCN9A Q15858 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DCK P27707 1/20 0.32

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
SCHEMBL7805126 0.80 KMT2A (0.38) KMT2AALOX5APFEN1MEN1MAPK1
SCHEMBL25239244 0.77 HASPIN (0.46) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL7805294 0.77 RAB9A (0.38) KMT2AALOX5APFEN1MEN1MAPK1
SCHEMBL6680308 0.76 GAA (0.49) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL713240 0.76 ALOX5AP (0.37) KMT2AALOX5APFEN1SCN9AALOX15
SCHEMBL6637209 0.75 MAPK1 (0.70) KMT2AMEN1MAPK1SCN9AHSD17B10
SCHEMBL7563308 0.75
SCHEMBL6640402 0.74 HSD17B10 (0.70) KMT2AMEN1MAPK1ALOX15HSD17B10
SCHEMBL10968197 0.74 NUDT1 (0.41) KMT2AMEN1MAPK1ALOX15HSD17B10
SCHEMBL11074847 0.74 ALOX15 (0.66) KMT2AMEN1ALOX15HSD17B10RAB9A

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
EP-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed