SCHEMBL8649669

SCHEMBL8649669

CN(C)c1ccc(S(OS(=O)(=O)CC(F)(F)F)(c2ccc(N(C)C)cc2)c2cccc(OC3CCCCO3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
GRM2 Q14416 3/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
HTR6 P50406 3/20 0.32
TSHR P16473 1/20 0.31
IDH2 P48735 2/20 0.30
PAX8 Q06710 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8649675 0.97 GAA (0.35) DHFRGRM2HSD11B1GAAALDH1A1
SCHEMBL8651827 0.91 GAA (0.33) HSD11B1GAAPAX8DDB1CRBN
SCHEMBL8649659 0.91 DHFR (0.40) DHFRGRM2HSD11B1ALDH1A1HTR6
SCHEMBL8648783 0.90 DHFR (0.39) DHFRGRM2HSD11B1ALDH1A1HTT
SCHEMBL8650000 0.88 GAA (0.35) GAAALDH1A1HTTDDB1CRBN
SCHEMBL8649688 0.88 TSHR (0.38) DHFRGRM2HSD11B1GAAALDH1A1
SCHEMBL8322235 0.87 HSD11B1 (0.37) DHFRHSD11B1GAAALDH1A1POLB
SCHEMBL8648971 0.87 TSHR (0.36) DHFRGRM2HSD11B1ALDH1A1HTT
SCHEMBL8321361 0.84 GAA (0.37) DHFRHSD11B1GAAALDH1A1POLB
SCHEMBL8646303 0.83 MEN1 (0.36) DHFRALDH1A1HTTTSHRIDH2

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed