SCHEMBL6598601

SCHEMBL6598601

CC(C)(C)c1csc(-c2cc3cc(Cn4cc(C#N)c5cc(OCc6ccccc6)ccc54)ccc3o2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
AS3MT Q9HBK9 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PFKFB2 O60825 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 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
SCHEMBL6599799 0.90 XDH (0.38) MEN1KMT2A
SCHEMBL6599467 0.87 XDH (0.35) PFKFB2PFKFB1PFKFB3
SCHEMBL5810419 0.86 PPARD (0.53) F2RL3PPARGPPARDPPARAALDH1A1
SCHEMBL14106844 0.86 XDH (0.35) PFKFB2PFKFB1PFKFB3
SCHEMBL6598004 0.86 XDH (0.34) SMN1; SMN2
SCHEMBL6599016 0.85 XDH (0.38) SMN1; SMN2PFKFB2PFKFB1PFKFB3
SCHEMBL6599695 0.85 PFKFB3 (0.35) PFKFB2PFKFB1PFKFB3
SCHEMBL6597700 0.85 MEN1 (0.34) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL6598454 0.85 XDH (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL6601989 0.85 XDH (0.34) SMN1; SMN2

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