SCHEMBL5206520

SCHEMBL5206520

O=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.69
KMT2A Q03164 9/20 0.69
POLB P06746 7/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
BLM P54132 1/20 0.66
HSD17B10 Q99714 2/20 0.64
ALDH1A1 P00352 3/20 0.63
TP53 P04637 1/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA13 Q8N1Q1 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
CASP6 P55212 1/20 0.60
CCR5 P51681 1/20 0.59

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
SCHEMBL6651050 0.86 MEN1 (0.74) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL13185637 0.85 POLB (0.70) MEN1KMT2APOLBSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL29042444 0.84 MEN1 (0.72) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL10813685 0.83 POLB (0.75) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL10813692 0.83 POLB (0.75) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL23867550 0.82 POLB (0.76) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL6816361 0.82 POLB (0.73) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19944328 0.82 POLB (0.73) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL7560982 0.80 MEN1 (0.66) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19921045 0.79 POLB (0.69) MEN1KMT2APOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed