SCHEMBL7921095

SCHEMBL7921095

C[N+](C)(CCSc1ccc(OCC(N)=O)c(F)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
NFKB1 P19838 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
ACLY P53396 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PTPN1 P18031 1/20 0.34
GAA P10253 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7918977 0.90 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7918551 0.89 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7920759 0.79 ALDH1A1 (0.79) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7911824 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7918887 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7920840 0.70 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7924099 0.69 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7921097 0.69 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL7924029 0.69 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2
SCHEMBL18377181 0.68 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9HSD17B10CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed