SCHEMBL13135752

SCHEMBL13135752

Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5nc(-c6ccc(-c7nc8cc(S(=O)(=O)c9ccc%10nc(C)[nH]c%10c9)ccc8[nH]7)cc6)[nH]c5c4)ccc3[nH]2)c(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
SCD O00767 4/20 0.46
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
HSPE1 P61604 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
NPBWR1 P48145 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13533820 0.88 HSPD1 (0.57) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL6124299 0.84 GAA (0.51) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL13175188 0.83 CYP3A4 (0.49) HDAC6SCDMAPTMEN1NPC1
SCHEMBL13533810 0.81 NPBWR1 (0.58) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL26357467 0.80 MEN1 (0.56) MMP2MMP9MMP8MMP13SCD
SCHEMBL13533829 0.79 NPBWR1 (0.58) HDAC6SCDHSPD1PTPN2PTPN1
SCHEMBL11911270 0.78 HSPD1 (0.51) MMP2MMP9MMP8MMP13SCD
SCHEMBL13533825 0.78 NPC1 (0.54) HDAC6SCDHSPD1PTPN2PTPN1
SCHEMBL10330717 0.77 CHEK2 (0.51) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL15895542 0.76 HDAC6 (0.75) HDAC6SCDNPBWR1CHEK2

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
US-7799893-B2 Polybenzazole block copolymer SOLVAY (SOCIETE ANONYME) (BE) 2010-09-21 US disclosed
US-20080003480-A1 recurring units comprising at least one benzazole group chosen among benzoxazole group and benzothiazole group; solid polymer electrolyte membrane, fuel cell SOLVAY (SOCIETE ANONYME) (BE) 2008-01-03 US disclosed