SCHEMBL4287543

SCHEMBL4287543

COc1c(C)nc(C)nc1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
CXCL12 P48061 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL276103 0.87 TDP1 (0.35) TDP1CYP3A4MAPT
SCHEMBL6033622 0.85 TDP1 (0.33) TDP1CYP3A4MAPT
SCHEMBL7050191 0.77
SCHEMBL28045734 0.76 KDM4E (0.32) MAPT
SCHEMBL7499659 0.74 KDM4E (0.35) MAPT
SCHEMBL25619798 0.74 KDM4E (0.33) TDP1MAPT
SCHEMBL13732851 0.72 TDP1 (0.35) TDP1CYP3A4MAPT
SCHEMBL2875077 0.70 LMNA (0.45) MAPT
SCHEMBL31295759 0.70 KDM4E (0.38) TDP1MAPT
SCHEMBL31347383 0.69 EGLN1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed