SCHEMBL5311151

SCHEMBL5311151

O=C1CCSc2ccc(C(=O)O)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
HDAC1 Q13547 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
LMNA P02545 5/20 0.54
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PABPC1 P11940 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL31396266 0.89 HDAC1 (0.58) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL619633 0.84 HTT (1.00) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL30270528 0.84 HTT (1.00) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL3324598 0.83 LMNA (0.76) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL1238568 0.76 HTT (0.56) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL5507140 0.76 HDAC1 (0.57) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL8853550 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6LMNATP53
SCHEMBL5638460 0.76 KMT2A (0.62) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL10352557 0.76 LMNA (0.57) HTTHDAC1HDAC8HDAC6LMNA
SCHEMBL5745653 0.76 HDAC1 (0.57) HTTHDAC1HDAC8HDAC6LMNA

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
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed