SCHEMBL3356727

SCHEMBL3356727

O=C(O)Oc1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 8/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 7/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR2 P25090 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FLT3 P36888 1/20 0.38
HDAC1 Q13547 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3352205 0.86 PRMT5 (0.44) GAAHSD17B10ALDH1A1TP53KMT2A
SCHEMBL3356723 0.82 GAA (0.69) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3356346 0.77 DDB1 (0.49) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3357708 0.76 ALDH1A1 (0.58) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL3354425 0.75 GAA (0.45) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL30497313 0.71 GAA (0.75) GAAHSD17B10ALDH1A1TP53HPGD
SCHEMBL23063522 0.69 HTT (0.52) GAAALDH1A1TP53HPGDFPR2
SCHEMBL9707233 0.69 KMT2A (0.57) GAAALDH1A1TP53HPGDNPC1
SCHEMBL30497269 0.68 GAA (0.70) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL18136684 0.68 GAA (0.50) GAAHSD17B10ALDH1A1TP53HPGD

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed