SCHEMBL6599016

SCHEMBL6599016

COC(=O)C(C)(C)COc1ccc2c(c1)c(C#N)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.38
PFKFB2 O60825 5/20 0.34
PFKFB1 P16118 5/20 0.34
PFKFB3 Q16875 5/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6599799 0.88 XDH (0.38) XDH
SCHEMBL14106844 0.86 XDH (0.35) XDHPFKFB2PFKFB1PFKFB3THRA
SCHEMBL6598952 0.86 XDH (0.36) XDHGAASMN1; SMN2
SCHEMBL6599467 0.86 XDH (0.35) XDHPFKFB2PFKFB1PFKFB3
SCHEMBL6598601 0.85 F2RL3 (0.38) PFKFB2PFKFB1PFKFB3SMN1; SMN2
SCHEMBL6602878 0.84 PLA2G4A (0.39)
SCHEMBL6601989 0.83 XDH (0.34) XDHGAASMN1; SMN2
SCHEMBL6598004 0.83 XDH (0.34) XDHGAASMN1; SMN2
SCHEMBL6622209 0.82 FFAR1 (0.40)
SCHEMBL6599695 0.82 PFKFB3 (0.35) PFKFB2PFKFB1PFKFB3

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