SCHEMBL7996749

SCHEMBL7996749

Cc1c(Cn2ccnc2S(C)(=O)=O)cccc1OCCCSc1nccs1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90B1 P14625 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL7996140 0.86 KMT2A (0.39) MEN1KMT2AHSP90AA1HSP90B1LMNA
SCHEMBL7994931 0.84 HTR7 (0.34) HTR7KMT2AUSP2LMNAMAPK1
SCHEMBL7984007 0.83 HSP90AA1 (0.38) HTR7HSP90AA1HSP90B1USP2LMNA
SCHEMBL7994719 0.83 HTR7 (0.34) HTR7USP2LMNAMAPK1
SCHEMBL7994851 0.83 EGFR (0.33) HTR7LMNAMAPK1
SCHEMBL7994234 0.80 TP53 (0.40) MEN1KMT2ALMNA
SCHEMBL8001816 0.78 SMN1; SMN2 (0.46) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL7997451 0.75 HSP90AA1 (0.35) HSP90AA1HSP90B1
SCHEMBL8001769 0.70 GRM2 (0.38) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL7994182 0.68 KMT2A (0.40) MEN1KMT2ALMNAMAPK1NPC1

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed