SCHEMBL7918930

SCHEMBL7918930

O=C(O)CCc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 4/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TBXA2R P21731 1/20 0.45
FLT3 P36888 1/20 0.44

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
SCHEMBL7921069 0.89 MEN1 (0.54) ALDH1A1MAPTCA1CA2MEN1
SCHEMBL7924138 0.86 ALDH1A1 (0.67) ALDH1A1MAPTCA1CA2MEN1
SCHEMBL7911899 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7924112 0.85 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7911872 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7911859 0.85 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7919328 0.83 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7918909 0.81 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7920677 0.81 ALDH1A1 (0.61) ALDH1A1MAPTCA1CA2MEN1
SCHEMBL7919333 0.81 MEN1 (0.54) ALDH1A1MAPTCA1CA2MEN1

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