SCHEMBL7923992

SCHEMBL7923992

COC(=O)COc1ccc(SCCNS(=O)(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
HTT P42858 3/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 11/20 0.50
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.42

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
SCHEMBL7911871 0.92 ALDH1A1 (0.57) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7918941 0.90 ALDH1A1 (0.52) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7918668 0.90 ALDH1A1 (0.54) TSHRHTTGAAALDH1A1CYP2C9
SCHEMBL7924106 0.89 ALDH1A1 (0.64) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7911889 0.87 TSHR (0.48) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7918861 0.84 ALDH1A1 (0.63) TSHRHTTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7918962 0.84 ALDH1A1 (0.48) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7924109 0.83 ALDH1A1 (0.47) TSHRHTTGAAALDH1A1CYP2C9
SCHEMBL7920704 0.83 ALDH1A1 (0.56) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL7920700 0.82 ALDH1A1 (0.52) TSHRHTTGAASMN1; SMN2ALDH1A1

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