SCHEMBL5064879

SCHEMBL5064879

O=C(Nc1nccs1)c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 2/20 0.62
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSPA5 P11021 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSPA9 P38646 1/20 0.54
HSPA2 P54652 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SCD O00767 1/20 0.53

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
SCHEMBL2658062 0.88 NPC1 (0.66) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL995829 0.74 NPC1 (1.00) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL2628996 0.74 NPC1 (0.76) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL4285954 0.74 NPC1 (0.85) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL23011772 0.74 KCNK3 (0.82) KCNK3KCNK9MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL27594584 0.73 NPC1 (0.97) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL6667286 0.73 ALDH1A1 (1.00) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL14082925 0.72 NPC1 (0.67) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL8797071 0.72 NPC1 (0.62) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8797043 0.72 RAB9A (0.62) MEN1KMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661563-B1 Compound effecting Glucokinase ASTRAZENECA AB (SE) 2008-05-28 EP claimed
EP-1661563-B1 Compound effecting Glucokinase ASTRAZENECA AB (SE) 2008-05-28 EP disclosed