SCHEMBL8649673

SCHEMBL8649673

CN(C)c1ccc([S+](c2ccc(N(C)C)cc2)c2cccc(OC3CCCO3)c2)cc1.O=S(=O)([O-])CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
GRM2 Q14416 3/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
DHFR P00374 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
IDH2 P48735 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8649667 0.97 DHFR (0.35) GAAGRM2TSHRALDH1A1POLB
SCHEMBL8649996 0.91 GAA (0.35) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL8649686 0.91 TSHR (0.38) GAAGRM2TSHRALDH1A1POLB
SCHEMBL8321358 0.90 GAA (0.35) GAATSHRALDH1A1POLBHTT
SCHEMBL8648970 0.90 TSHR (0.36) GRM2TSHRALDH1A1HTTDHFR
SCHEMBL8651820 0.88 GAA (0.32) GAAKMT2AMEN1SMN1; SMN2TP53
SCHEMBL8645101 0.88 DHFR (0.40) GRM2TSHRDHFRKMT2AMEN1
SCHEMBL8322230 0.87 DHFR (0.36) GAAALDH1A1POLBDHFR
SCHEMBL8648781 0.87 DHFR (0.38) GRM2TSHRHTTDHFRKMT2A
SCHEMBL8322550 0.87 GAA (0.37) GAATSHRALDH1A1POLBDHFR

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