SCHEMBL13950331

SCHEMBL13950331

CC(C)Oc1ccnc(-c2ccc(F)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
ALPL P05186 2/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
GRM5 P41594 2/20 0.38
F2RL3 Q96RI0 1/20 0.38
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
FGFR1 P11362 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1A1 P48729 2/20 0.37
CSNK1D P48730 2/20 0.37
GSK3B P49841 2/20 0.37
CSNK1G2 P78368 2/20 0.37
TAOK1 Q7L7X3 2/20 0.37
MINK1 Q8N4C8 2/20 0.37

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
SCHEMBL515651 0.83 CCR1 (0.59) KMOALPLCCR1CCR5CCR8
SCHEMBL29445848 0.77 KMO (0.54) KMOALPLGRM5L3MBTL1FAAH
SCHEMBL19072696 0.77 KMO (0.54) KMOALPLGRM5L3MBTL1FAAH
SCHEMBL503953 0.74 CCR1 (0.55) KMOALPLCCR1CCR5CCR8
SCHEMBL16910413 0.74 CCR1 (0.55) KMOALPLCCR1CCR5CCR8
SCHEMBL29766750 0.74 CCR1 (0.55) KMOALPLCCR1CCR5CCR8
SCHEMBL28105602 0.73 KMO (0.50) KMOALOX5APFEN1GRM5L3MBTL1
SCHEMBL7851264 0.72 ALDH1A1 (0.39) CCR1CCR5CCR8FGFR1MAPK1
SCHEMBL16841438 0.72 KMO (0.47) KMOALPLF2RL3L3MBTL1FAAH
SCHEMBL503494 0.72 KMO (0.47) KMOALPLF2RL3L3MBTL1FAAH

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-7473477-B2 Phosphorescent iridium complexes EASTMAN KODAK COMPANY (US) 2009-01-06 US disclosed
US-7473477-B2 Phosphorescent iridium complexes EASTMAN KODAK COMPANY (US) 2009-01-06 US disclosed