SCHEMBL6598555

SCHEMBL6598555

CC(C)(C)c1csc(-c2cc3cc(C(O)Cn4cc(C(=O)O)c5ccccc54)ccc3o2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.42
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ENPP2 Q13822 3/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KAT2B Q92831 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6599836 0.90 ALDH1A1 (0.34) PLK1ALDH1A1POLBHSD17B10MEN1
SCHEMBL6599459 0.85 NR3C1 (0.36) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL6600889 0.85 ALDH1A1 (0.38) PLK1ALDH1A1POLBHSD17B10MEN1
SCHEMBL6601108 0.82 ALDH1A1 (0.30) ALDH1A1POLBHSD17B10
SCHEMBL6597688 0.80 CREBBP (0.40) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL7473185 0.77 SMN1; SMN2 (0.44) ALDH1A1POLBHSD17B10KMT2AMAPT
SCHEMBL6598958 0.75 ALDH1A1 (0.37) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL6599969 0.75 SMN1; SMN2 (0.37) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL6598493 0.75 ALDH1A1 (0.46) PLK1ALDH1A1POLBHSD17B10
SCHEMBL6598720 0.73 UGT2B7 (0.34) POLBMEN1KMT2AMAPT

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-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed