SCHEMBL9224896

SCHEMBL9224896

Nc1ccc(OC(F)(F)F)c(-c2cc(N)ccc2OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PDK2 Q15119 2/20 0.38
PDE2A O00408 1/20 0.37
EPHX2 P34913 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SCN9A Q15858 3/20 0.35
MPL P40238 1/20 0.35
MAPK1 P28482 2/20 0.34
GPR3 P46089 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 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
SCHEMBL30234869 1.00 TSHR (0.43) TSHRPOLBGLAGAAPDK2
SCHEMBL9367414 0.84 GAA (0.40) TSHRPOLBGLAGAAPDE2A
SCHEMBL29118749 0.84 SCN9A (0.43) TSHRALOX5APFEN1SCN9AMAPK1
SCHEMBL22607085 0.83 TSHR (0.45) TSHRPOLBGLAGAAPDK2
SCHEMBL714264 0.83 TSHR (0.48) TSHRPOLBGLAGAAPDK2
SCHEMBL398001 0.83 ALDH1A1 (0.44) TSHRPOLBGLAGAAPDE2A
SCHEMBL5502229 0.83 ALDH1A1 (0.44) TSHRPOLBGLAGAAPDE2A
SCHEMBL30397188 0.83 ALDH1A1 (0.44) TSHRPOLBGLAGAAPDE2A
SCHEMBL945792 0.81 GAA (0.57) TSHRPOLBGLAGAAPDE2A
SCHEMBL7779423 0.81 EPHX2 (0.50) TSHRPOLBGLAGAAPDE2A

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
WO-1995004305-A1 PHOTOSENSITIVE FLUORINATED POLY(AMIC ACID) AMINOACRYLATE SALT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-09 WO disclosed