SCHEMBL7981060

SCHEMBL7981060

O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 5/20 1.00
SRC P12931 10/20 0.71
PRKACA P17612 3/20 0.71
PRKACG P22612 3/20 0.71
PRKACB P22694 3/20 0.71
PTGDR2 Q9Y5Y4 5/20 0.48
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL7981611 0.87 NOX4 (0.77) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7987332 0.84 SRC (0.72) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7981059 0.83 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7970469 0.83 NOX4 (0.71) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL9367302 0.76 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7987031 0.71 NOX4 (0.54) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7981604 0.70 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7984057 0.68 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7983612 0.67 SRC (0.70) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7987325 0.67 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed