SCHEMBL7921069

SCHEMBL7921069

O=C(O)Cc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TBXA2R P21731 1/20 0.50
ALDH1A1 P00352 9/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
MEP1B Q16820 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL7918930 0.89 ALDH1A1 (0.56) MEN1KMT2ACA1CA2TBXA2R
SCHEMBL7919333 0.88 MEN1 (0.54) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL7911879 0.84 MEP1B (0.53) MEN1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL7911878 0.84 TBXA2R (0.70) MEN1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL7911851 0.84 ALDH1A1 (0.70) MEN1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL7918909 0.83 ALDH1A1 (0.56) MEN1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL7919294 0.81 ALDH1A1 (0.56) MEN1KMT2ATBXA2RALDH1A1GAA
SCHEMBL8442665 0.80 ALDH1A1 (0.58) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL7918975 0.78 ALDH1A1 (0.47) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL7919315 0.78 ALDH1A1 (0.60) MEN1KMT2ACA1CA2TBXA2R

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