SCHEMBL13868968

SCHEMBL13868968

CCCOCCOc1cc(I)c(OCCOCCC)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.37
CSNK2A1 P68400 2/20 0.36
L3MBTL1 Q9Y468 6/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL2021642 0.83 L3MBTL1 (0.40) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL369000 0.83 L3MBTL1 (0.40) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL9556471 0.80 CYP1A2 (0.45) MAPTKDM4EALDH1A1TP53GAA
SCHEMBL13882478 0.79 KMT2A (0.46) KDM4EALDH1A1MEN1USP2POLB
SCHEMBL13868964 0.79 KMT2A (0.46) KDM4EALDH1A1MEN1USP2POLB
SCHEMBL13868967 0.79 KDM4E (0.39) MAPTKDM4EL3MBTL1TDP1
SCHEMBL23267299 0.77 L3MBTL1 (0.55) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL1778304 0.77 THRA (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1776059 0.77 THRA (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2831022 0.77 THRA (0.49) MAPTALDH1A1MEN1KMT2AHPGD

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-7521232-B2 Emissive species for clinical imaging ICX NOMADICS, INC. (US) 2009-04-21 US disclosed
US-20070281289-A1 Emissive species for clinical imaging NOMADICS, INC. (US) 2007-12-06 US disclosed