SCHEMBL9315932

SCHEMBL9315932

Nc1cc(-c2cc(-c3cc(N)cc(C(F)(F)F)c3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
KIF11 P52732 2/20 0.44
NR2E1 Q9Y466 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
IKBKB O14920 1/20 0.39
PTPN5 P54829 2/20 0.36
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CES2 O00748 1/20 0.34
KDM1A O60341 1/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL716180 0.97 TSHR (0.50) TSHRMAPK1KIF11NR2E1RXRA
SCHEMBL29576147 0.97 TSHR (0.50) TSHRMAPK1KIF11NR2E1RXRA
SCHEMBL23045013 0.95 KIF11 (0.44) TSHRMAPK1KIF11NR2E1RXRA
SCHEMBL30600349 0.90 KIF11 (0.44) TSHRMAPK1KIF11NR2E1RXRA
SCHEMBL8741826 0.89 TSHR (0.55) TSHRMAPK1KIF11RXRARXRB
SCHEMBL3785139 0.87 KIF11 (0.65) TSHRMAPK1KIF11RXRARXRB
SCHEMBL3783746 0.85 KIF11 (0.54) TSHRMAPK1KIF11RXRARXRB
SCHEMBL30087058 0.85 KIF11 (0.54) TSHRMAPK1KIF11RXRARXRB
Hydrazine SCHEMBL2139143 0.84 RXRA (0.45) TSHRMAPK1KIF11RXRARXRB
SCHEMBL130383 0.84 TSHR (0.56) TSHRMAPK1KIF11NR2E1IKBKB

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-5354839-A Low dielectric constant, colorless, transparent and excellent in processability and heat resistance MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-11 US disclosed