SCHEMBL7185488

SCHEMBL7185488

Nc1cc(Sc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
NR2E1 Q9Y466 1/20 0.38
KIF11 P52732 2/20 0.37
PTPN5 P54829 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 2/20 0.33
MAPT P10636 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7189756 0.90 TSHR (0.52) TSHRMAPK1KIF11ALDH1A1MEN1
SCHEMBL7189659 0.87 TSHR (0.58) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7191021 0.83 TSHR (0.37) TSHRMAPK1KIF11ALDH1A1MEN1
SCHEMBL20040705 0.83 TSHR (0.42) TSHRMAPK1NR2E1KIF11PTPN5
SCHEMBL130383 0.80 TSHR (0.56) TSHRMAPK1NR2E1KIF11PTPN5
SCHEMBL394717 0.80 TSHR (0.56) TSHRMAPK1NR2E1KIF11PTPN5
SCHEMBL7184462 0.79 PDE7A (0.48) TSHRMAPK1NR2E1KIF11ALDH1A1
Hydrochloric Acid SCHEMBL9741395 0.78 TSHR (0.54) TSHRMAPK1NR2E1KIF11PTPN5
SCHEMBL27859051 0.78 TSHR (0.54) TSHRMAPK1NR2E1KIF11PTPN5
Iodide SCHEMBL31550893 0.78 TSHR (0.54) TSHRMAPK1NR2E1KIF11PTPN5

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