SCHEMBL7189481

SCHEMBL7189481

CC(C)(c1cc(N)cc(C(F)(F)F)c1)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NR2E1 Q9Y466 1/20 0.42
IKBKB O14920 1/20 0.42
IDO1 P14902 2/20 0.39
KIF11 P52732 2/20 0.38
CES2 O00748 1/20 0.38
PTPN5 P54829 2/20 0.35
TACR1 P25103 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 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
SCHEMBL7182065 0.90 KIF11 (0.50) TSHRMAPK1NR2E1IKBKBKIF11
SCHEMBL130383 0.87 TSHR (0.56) TSHRMAPK1NR2E1IKBKBIDO1
SCHEMBL7192380 0.87 TSHR (0.66) TSHRMAPK1NR2E1IKBKBKIF11
SCHEMBL12024580 0.86 TSHR (0.46) TSHRMAPK1NR2E1IKBKBIDO1
SCHEMBL545803 0.86 TSHR (0.46) TSHRMAPK1NR2E1IKBKBIDO1
SCHEMBL23113676 0.86 TSHR (0.46) TSHRMAPK1NR2E1IKBKBIDO1
SCHEMBL14200010 0.86 MAPK1 (0.46) TSHRMAPK1NR2E1IKBKBIDO1
Iodide SCHEMBL31550893 0.85 TSHR (0.54) TSHRMAPK1NR2E1IKBKBIDO1
SCHEMBL7186572 0.82 FFAR4 (0.41) TSHRMAPK1NR2E1IKBKBKIF11
SCHEMBL545622 0.82 TSHR (0.43) TSHRMAPK1NR2E1IKBKBIDO1

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed