SCHEMBL20109426

SCHEMBL20109426

NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.52
KLKB1 P03952 8/20 0.52

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
SCHEMBL30480722 1.00 F11 (0.52) F11KLKB1
SCHEMBL478538 0.88 F11 (0.53) F11KLKB1
SCHEMBL30194022 0.88 F11 (0.53) F11KLKB1
SCHEMBL478536 0.88 F11 (0.53) F11KLKB1
SCHEMBL14874260 0.87 F11 (0.51) F11KLKB1
SCHEMBL478270 0.84 F11 (0.54) F11KLKB1
SCHEMBL16076622 0.84 F11 (0.51) F11KLKB1
SCHEMBL16648369 0.84 F11 (0.54) F11KLKB1
SCHEMBL478272 0.84 F11 (0.54) F11KLKB1
SCHEMBL478666 0.81 F11 (0.50) F11KLKB1

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-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed