SCHEMBL8999948

SCHEMBL8999948

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL8999963 0.94 TSHR (0.33) TSHRMAPK1ESR1ESR2
SCHEMBL30891616 0.92 TSHR (0.37) TSHRMAPK1
SCHEMBL30891614 0.90 TSHR (0.35) TSHRMAPK1
SCHEMBL5185100 0.85 TSHR (0.35) TSHRMAPK1
SCHEMBL5185127 0.85 TSHR (0.35) TSHRMAPK1
SCHEMBL9000007 0.85 TSHR (0.35) TSHRMAPK1ESR1ESR2
SCHEMBL5186928 0.85 TSHR (0.35) TSHRMAPK1
SCHEMBL3869874 0.85 TSHR (0.38) TSHRMAPK1
SCHEMBL8999917 0.79 TSHR (0.46) TSHRMAPK1
SCHEMBL7184496 0.79 TSHR (0.46) TSHRMAPK1ESR1ESR2

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