SCHEMBL687221

SCHEMBL687221

Cc1n[nH]c(N)c1-c1nc2ccc(OC(N)=O)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ILK Q13418 17/20 0.53
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
APP P05067 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
SCHEMBL687425 0.82 ILK (0.73) ILKAPP
SCHEMBL2165867 0.81 ILK (0.72) ILK
SCHEMBL687793 0.78 ILK (0.49) ILKCA2
SCHEMBL686413 0.77 ILK (0.74) ILKKMT2A
SCHEMBL687116 0.77 ILK (0.70) ILKAPP
SCHEMBL686420 0.77 ILK (0.70) ILKAPP
SCHEMBL687684 0.77 ILK (0.70) ILKAPP
SCHEMBL686498 0.77 ILK (0.60) ILK
SCHEMBL686512 0.77 ILK (0.52) ILK
SCHEMBL686543 0.76 ILK (0.73) ILK

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
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP claimed