SCHEMBL7919328

SCHEMBL7919328

O=C(O)CCc1ccc(SCCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
VCAM1 P19320 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BCL2L1 Q07817 3/20 0.46
BCL2 P10415 2/20 0.46
MCL1 Q07820 2/20 0.46
TBXA2R P21731 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
BAK1 Q16611 1/20 0.44
SLC25A1 P53007 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7923986 0.83 ALDH1A1 (0.54) ALDH1A1MAPTVCAM1MEN1KMT2A
SCHEMBL7918930 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ATBXA2R
SCHEMBL7911899 0.82 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ATBXA2R
SCHEMBL7924138 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AMCL1
SCHEMBL7920590 0.79 ALDH1A1 (0.62) ALDH1A1MAPTBCL2L1BCL2MCL1
SCHEMBL7918880 0.78 ALDH1A1 (0.52) ALDH1A1MAPTVCAM1MEN1KMT2A
SCHEMBL7911868 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATBXA2R
SCHEMBL7911859 0.78 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ATBXA2R
SCHEMBL7911872 0.78 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7924112 0.78 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AMCL1

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