SCHEMBL7918880

SCHEMBL7918880

COC(=O)COc1ccc(SCCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 3/20 0.50
VCAM1 P19320 3/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7923986 0.91 ALDH1A1 (0.54) ALDH1A1MAPTHTTVCAM1TSHR
SCHEMBL7918968 0.84 ALDH1A1 (0.60) ALDH1A1MAPTCYP2C9CYP2C19TSHR
SCHEMBL7919288 0.81 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP2C19HTTTSHR
SCHEMBL7919345 0.81 ALDH1A1 (0.59) ALDH1A1CYP2C9CYP2C19HTTTSHR
SCHEMBL8439052 0.80 VCAM1 (0.54) ALDH1A1MAPTHTTVCAM1LMNA
SCHEMBL7918958 0.80 ALDH1A1 (0.65) ALDH1A1MAPTCYP2C9CYP2C19HTT
SCHEMBL7924098 0.80 ALDH1A1 (0.47) ALDH1A1MAPTCYP2C9CYP2C19HTT
SCHEMBL7919042 0.79 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19HTTTSHR
SCHEMBL7918861 0.79 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19HTTTSHR
SCHEMBL7911909 0.79 ALDH1A1 (0.63) ALDH1A1MAPTCYP2C9CYP2C19HTT

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