SCHEMBL7918909

SCHEMBL7918909

O=C(O)COc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KMT2A Q03164 6/20 0.51
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 5/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL7918968 0.89 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL7921068 0.86 TBXA2R (0.67) ALDH1A1KMT2ATBXA2RTBXAS1GAA
SCHEMBL7918922 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ATBXA2RTBXAS1GAA
SCHEMBL7918986 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ATBXA2RTBXAS1MAPT
SCHEMBL7919243 0.85 ALDH1A1 (0.59) ALDH1A1KMT2ATBXA2RTBXAS1MAPT
SCHEMBL7920702 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ATBXA2RTBXAS1MAPT
SCHEMBL7919267 0.85 ALDH1A1 (0.65) ALDH1A1KMT2ATBXA2RTBXAS1MAPT
SCHEMBL7918971 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL7923986 0.84 ALDH1A1 (0.54) ALDH1A1KMT2ATBXA2RTBXAS1MAPT
SCHEMBL7918790 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTGAAMEN1

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 5 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
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