SCHEMBL8999898

SCHEMBL8999898

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN5 P54829 2/20 0.36
NR2E1 Q9Y466 1/20 0.36
IDO1 P14902 2/20 0.35
KIF11 P52732 2/20 0.34
CES2 O00748 1/20 0.34
IKBKB O14920 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 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
SCHEMBL7184496 0.89 TSHR (0.46) TSHRMAPK1PTPN5NR2E1IDO1
SCHEMBL130383 0.82 TSHR (0.56) TSHRMAPK1PTPN5NR2E1IDO1
SCHEMBL7194676 0.80 KIF11 (0.50) TSHRMAPK1PTPN5NR2E1KIF11
Iodide SCHEMBL31550893 0.79 TSHR (0.54) TSHRMAPK1PTPN5NR2E1IDO1
SCHEMBL8999963 0.79 TSHR (0.33) TSHRMAPK1
SCHEMBL8999948 0.78 TSHR (0.32) TSHRMAPK1
SCHEMBL7186632 0.77 TSHR (0.66) TSHRMAPK1IDO1KIF11CES2
SCHEMBL394717 0.77 TSHR (0.56) TSHRMAPK1PTPN5NR2E1IDO1
SCHEMBL8999917 0.76 TSHR (0.46) TSHRMAPK1PTPN5NR2E1IDO1
SCHEMBL9000012 0.76 TSHR (0.46) TSHRMAPK1PTPN5NR2E1IDO1

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

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