SCHEMBL7918919

SCHEMBL7918919

COC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
CYP2C9 P11712 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
CYP2C19 P33261 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7918790 0.90 ALDH1A1 (0.66) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7911889 0.90 TSHR (0.48) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7921056 0.89 ALDH1A1 (0.66) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7924113 0.87 ALDH1A1 (0.64) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7918789 0.87 ALDH1A1 (0.64) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7924106 0.87 ALDH1A1 (0.64) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL18377179 0.87 ALDH1A1 (0.79) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL21569273 0.85 MEN1 (0.60) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4
SCHEMBL7918968 0.84 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7911850 0.80 ALDH1A1 (0.63) ALDH1A1CYP2C9HSD17B10CYP1A2CYP3A4

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