SCHEMBL5646759

SCHEMBL5646759

COC(=O)c1c2c(c3ccccc3c1N)OC(c1ccc(OC)cc1)(c1ccc3c(c1)CC(C)O3)C=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EIF4A1 P60842 2/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8978547 0.91 RAB9A (0.39) RAB9AGABRA1GABRB2ACHETDP1
SCHEMBL5644207 0.86 ATM (0.41) RAB9ATDP1HTTTP53ATM
SCHEMBL5646592 0.85 RAB9A (0.34) RAB9ATDP1EIF4A1ALDH1A1KDM4E
SCHEMBL8978536 0.84 ALDH1A1 (0.36) RAB9ATDP1TP53L3MBTL1ALDH1A1
SCHEMBL5645923 0.84 ATM (0.39) RAB9ATDP1HTTTP53ATM
SCHEMBL6652780 0.77 ALDH1A1 (0.34) TDP1TP53ALDH1A1KDM4EHPGD
SCHEMBL5650291 0.76 RAB9A (0.39) RAB9AGABRA1GABRB2ACHETDP1
SCHEMBL8727667 0.76 GABRA1 (0.34) RAB9AGABRA1GABRB2ACHETDP1
SCHEMBL29565080 0.76 ATM (0.41) RAB9ATDP1HTTTP53ATM
SCHEMBL6169861 0.76 ATM (0.41) RAB9ATDP1HTTTP53ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US claimed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US claimed
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US disclosed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US disclosed