SCHEMBL17656252

SCHEMBL17656252

O=C(CO)c1ccc2c(c1)oc1cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 2/20 0.40
CDYL Q9Y232 2/20 0.40
CDY1; CDY1B Q9Y6F8 2/20 0.40
STS P08842 1/20 0.39
TTR P02766 3/20 0.39
MAPT P10636 3/20 0.39
HTR2B P41595 1/20 0.38
GSK3B P49841 2/20 0.38
CDYL2 Q8N8U2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL204238 0.87 GSK3B (0.55) CBX7CDYLCDY1; CDY1BTTRMAPT
SCHEMBL13070481 0.82 ATM (0.45) STSTTRMAPTHTR2BSMN1; SMN2
SCHEMBL8954362 0.81 TTR (0.57) TTRHTR2BKDM4EALDH1A1HSD17B10
SCHEMBL13070610 0.81 STS (0.39) STSTTRMAPTHTR2BSMN1; SMN2
SCHEMBL19318868 0.80 NPC1 (0.46) TTRMAPTHTR2BSMN1; SMN2KDM4E
SCHEMBL204756 0.78 PTPN1 (0.50) TTRMAPTHTR2BGSK3BSMN1; SMN2
SCHEMBL23693530 0.77 TTR (0.53) TTRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL23693577 0.77 TTR (0.56) TTRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29886929 0.77 TTR (0.56) TTRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL203439 0.76 MAPT (0.50) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed