SCHEMBL8977892

SCHEMBL8977892

Cc1nc(-c2cc(C)c(O)c(I)c2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
PLK1 P53350 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPK14 Q16539 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL8554106 0.90 L3MBTL1 (0.56) L3MBTL1PLK1CA1CA2CA12
SCHEMBL18471229 0.78 L3MBTL1 (0.60) L3MBTL1PLK1CA1CA2CA12
SCHEMBL31591598 0.78 HTT (0.44) L3MBTL1LMNARAB9ANFKB1NFKB2
SCHEMBL12038095 0.78 L3MBTL1 (0.61) L3MBTL1PLK1CA1CA2CA12
SCHEMBL8663061 0.75 L3MBTL1 (0.56) L3MBTL1PLK1CA1CA2CA12
SCHEMBL15261955 0.75 L3MBTL1 (0.56) L3MBTL1PLK1CA1CA2CA12
SCHEMBL18518446 0.75 L3MBTL1 (0.56) L3MBTL1PLK1CA1CA2CA12
SCHEMBL12947695 0.75 L3MBTL1 (0.61) L3MBTL1PLK1CA1CA2CA12
SCHEMBL9179130 0.73 PTGS1 (0.59) L3MBTL1CA1CA2SMN1; SMN2PTGS1
SCHEMBL6935323 0.73 L3MBTL1 (0.50) L3MBTL1LMNARAB9ATSHRHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523312-A ADMINISTERING TO MAMMALS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
US-5514692-A VIRICIDES STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1996009822-A1 ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP, INC. (US) 1996-04-04 WO disclosed