SCHEMBL8147257

SCHEMBL8147257

COc1nn(C)c(=O)n1-c1ccccc1CON=C(S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
USP2 O75604 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 2/20 0.33
NR2E1 Q9Y466 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TACR1 P25103 2/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 2/20 0.31
GPBAR1 Q8TDU6 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
RHOC P08134 1/20 0.31
RHOA P61586 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CETP P11597 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL8147256 1.00 TSHR (0.33) TSHRUSP2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8147682 0.91 TDP1 (0.37) TSHRUSP2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8147679 0.91 TDP1 (0.37) TSHRUSP2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL959562 0.85 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL29870686 0.85 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL32678199 0.85 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL119998 0.85 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL119997 0.85 KMT2A (0.37) SMN1; SMN2ALDH1A1GAA
SCHEMBL8141378 0.83 MEN1 (0.33) SMN1; SMN2ALDH1A1CYP3A4CYP1A2
SCHEMBL8141373 0.83 MEN1 (0.33) SMN1; SMN2ALDH1A1CYP3A4CYP1A2

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-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed