SCHEMBL7468650

SCHEMBL7468650

COc1nc2cc(Cl)c(Cl)c(CSC)c2nc1OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
PTGES O14684 1/20 0.32
NQO2 P16083 1/20 0.31
PGK1 P00558 1/20 0.31
GSK3B P49841 1/20 0.31
MAP4K2 Q12851 1/20 0.31

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
SCHEMBL8784394 0.82 HRH4 (0.35) HRH4PTGESNQO2PGK1GSK3B
SCHEMBL7466499 0.82 HRH4 (0.35) HRH4PTGESNQO2PGK1GSK3B
SCHEMBL7470579 0.80 PTGES (0.34) PTGESNQO2
SCHEMBL8784365 0.79 HRH4 (0.34) HRH4PTGESNQO2PGK1GSK3B
SCHEMBL8784616 0.77 TLR8 (0.35) HRH4PTGESNQO2PGK1
SCHEMBL7467268 0.77 GLP1R (0.34) HRH4PTGESNQO2
SCHEMBL7470559 0.76 HRH4 (0.32) HRH4PTGESPGK1GSK3BMAP4K2
SCHEMBL7473964 0.74 HRH4 (0.39) HRH4PTGESNQO2PGK1GSK3B
SCHEMBL6680601 0.73 HRH4 (0.38) HRH4PTGESNQO2PGK1GSK3B
SCHEMBL7676206 0.73 HRH4 (0.38) HRH4PTGESNQO2PGK1GSK3B

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-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed