SCHEMBL6599202

SCHEMBL6599202

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
CXCR3 P49682 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35

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
SCHEMBL6600889 0.87 ALDH1A1 (0.38) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6599459 0.83 NR3C1 (0.36) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL6599969 0.82 SMN1; SMN2 (0.37) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL6602878 0.80 PLA2G4A (0.39)
SCHEMBL6598952 0.78 XDH (0.36) SMN1; SMN2GAA
SCHEMBL6602416 0.77 IMPDH2 (0.31) POLBALDH1A1HSD17B10
SCHEMBL6622209 0.77 FFAR1 (0.40)
SCHEMBL6599607 0.77 ALDH1A1 (0.31) POLBALDH1A1HSD17B10
SCHEMBL6601989 0.76 XDH (0.34) SMN1; SMN2GAA
SCHEMBL6598004 0.76 XDH (0.34) SMN1; SMN2GAA

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 4 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
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