SCHEMBL7569936

SCHEMBL7569936

Nc1cc(SCCl)nc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HSP90AB1 P08238 1/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 4/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7568049 0.80 HSP90AB1 (0.55) KMT2AHSP90AB1TSHRMAPTLMNA
SCHEMBL8084685 0.79 KMT2A (0.49) KMT2AHSP90AB1TSHRMAPTLMNA
SCHEMBL14163375 0.76 KMT2A (0.42) KMT2AHSP90AB1TSHRMAPTLMNA
SCHEMBL8086252 0.76 KMT2A (0.46) KMT2AHSP90AB1TSHRMAPTHIF1A
SCHEMBL763785 0.71 HRH4 (0.37) KMT2AHSP90AB1MAPTMEN1NPC1
SCHEMBL7569734 0.71 MEN1 (0.53) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL17400454 0.70 LMNA (0.43) KMT2AHSP90AB1TSHRMAPTLMNA
SCHEMBL96485 0.68
SCHEMBL754084 0.67 KMT2A (0.40) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL6360346 0.66 MAPT (0.46) KMT2AMAPTMEN1NPC1RAB9A

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