SCHEMBL2364899

SCHEMBL2364899

CNC(C#N)CCc1coc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.42
PTGS2 P35354 8/20 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
SCHEMBL6964476 0.80 PTGS1 (0.45) PTGS1PTGS2
SCHEMBL1930188 0.79 PTGS1 (0.45) PTGS1PTGS2
Hydrochloric Acid SCHEMBL1926998 0.78 PTGS1 (0.44) PTGS1PTGS2
SCHEMBL1929209 0.77 CA1 (0.44) PTGS1PTGS2
SCHEMBL6966970 0.76 CA1 (0.43) PTGS1PTGS2
SCHEMBL6960419 0.76 CA1 (0.43) PTGS1PTGS2
SCHEMBL6959668 0.75 PTGS1 (0.47) PTGS1PTGS2
SCHEMBL1929546 0.75 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL1929518 0.74 CA1 (0.47) PTGS1PTGS2
SCHEMBL8483677 0.74 CNR1 (0.35) PTGS1PTGS2

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-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP disclosed