SCHEMBL7184496

SCHEMBL7184496

Nc1cc(C(F)(F)F)cc(C(c2cc(N)cc(C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
PTPN5 P54829 2/20 0.39
IDO1 P14902 2/20 0.39
NR2E1 Q9Y466 1/20 0.39
KIF11 P52732 2/20 0.38
CES2 O00748 1/20 0.38
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
IKBKB O14920 1/20 0.34
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL7194676 0.90 KIF11 (0.50) TSHRMAPK1PTPN5NR2E1KIF11
SCHEMBL8999898 0.89 TSHR (0.42) TSHRMAPK1PTPN5IDO1NR2E1
SCHEMBL130383 0.87 TSHR (0.56) TSHRMAPK1PTPN5IDO1NR2E1
SCHEMBL7186632 0.87 TSHR (0.66) TSHRMAPK1IDO1KIF11CES2
Iodide SCHEMBL31550893 0.85 TSHR (0.54) TSHRMAPK1PTPN5IDO1NR2E1
SCHEMBL9000007 0.84 TSHR (0.35) TSHRMAPK1ESR1ESR2
SCHEMBL7184500 0.82 TSHR (0.38) TSHRMAPK1PTPN5KIF11CES2
SCHEMBL394717 0.82 TSHR (0.56) TSHRMAPK1PTPN5IDO1NR2E1
SCHEMBL8999963 0.80 TSHR (0.33) TSHRMAPK1ESR1ESR2
SCHEMBL8999915 0.80 TSHR (0.50) TSHRMAPK1PTPN5IDO1NR2E1

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 3 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
US-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed