SCHEMBL710896

SCHEMBL710896

COc1ccccc1N=NC=c1[nH]c(=O)c(=Cc2cnc(NC(=O)CCC(=O)O)s2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
OGA O60502 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL702368 0.78 OGA (0.35) KMT2AOGAMAPTMEN1
SCHEMBL702367 0.78 OGA (0.35) KMT2AOGAMAPTMEN1
SCHEMBL717617 0.76 OGA (0.38) KMT2ANPC1RAB9ASMN1; SMN2OGA
SCHEMBL652084 0.75 KMT2A (0.52) KMT2ARAB9AMEN1
SCHEMBL652083 0.75 KMT2A (0.52) KMT2ARAB9AMEN1
SCHEMBL702579 0.74 OGA (0.39) KMT2ANPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL702580 0.74 OGA (0.39) KMT2ANPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL13091418 0.73 POLB (0.38) KMT2ANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL704131 0.70 LMNA (0.34) KMT2AOGAMAPTMEN1
SCHEMBL704130 0.70 LMNA (0.34) KMT2AOGAMAPTMEN1

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-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed