SCHEMBL7930045

SCHEMBL7930045

Oc1c(I)cc(I)c(F)c1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
ERN1 O75460 1/20 0.37
ALB P02768 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK14 Q16539 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL69776 0.80 TTR (0.56) TTRERN1ALBTDP1MEN1
SCHEMBL12817414 0.75 TTR (0.50) TTRERN1ALBTDP1MEN1
SCHEMBL29661971 0.73 TP53 (0.53) TTRALBALDH1A1TP53HPGD
SCHEMBL8410940 0.72 TTR (0.48) TTRERN1ALBTDP1MEN1
SCHEMBL17378980 0.71 MEN1 (0.50) TTRTDP1MEN1LMNAHTT
SCHEMBL2387045 0.70
SCHEMBL17378819 0.69 THRA (0.37) TTRTDP1MEN1LMNAKMT2A
SCHEMBL27245311 0.69 CA12 (0.45) TTRALDH1A1LCKHPGDHSD17B10
SCHEMBL6720850 0.69 TTR (0.50) TTRERN1ALBTDP1MEN1
SCHEMBL7929986 0.69 TTR (0.58) TTRERN1ALBTDP1MEN1

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-0707849-B1 USE OF DERIVATIVES OF 2,4-DISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S L (ES) 2001-12-19 EP disclosed