SCHEMBL3649851

SCHEMBL3649851

O=C(NCc1ccc(Cl)s1)Oc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.66
CHEK2 O96017 5/20 0.53
PRSS12 P56730 1/20 0.48

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
SCHEMBL2317056 0.91 SCD (0.79) SCDCHEK2PRSS12
SCHEMBL2318557 0.88 SCD (0.81) SCDCHEK2
SCHEMBL2809774 0.80 KDR (0.57) SCDCHEK2
SCHEMBL2313390 0.80 SCD (0.64) SCDCHEK2
SCHEMBL2320264 0.79 CHEK2 (0.59) CHEK2
SCHEMBL2318553 0.79 CHEK2 (0.58) SCDCHEK2
SCHEMBL2363980 0.78 CHEK2 (0.57) CHEK2
SCHEMBL2314369 0.78 CHEK2 (0.57) CHEK2
SCHEMBL2318172 0.77 SCD (0.62) SCDCHEK2
SCHEMBL2318983 0.77 CHEK2 (0.73) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183222-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2010-05-12 EP disclosed
WO-2009024287-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-02-26 WO disclosed