SCHEMBL18335019

SCHEMBL18335019

O=C(O)Oc1cnn(-c2cccc(-c3ccccc3OCc3ccc(C4CCC(F)(F)CC4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 19/20 0.45
GUCY1B1 Q02153 19/20 0.45
GUCY1B2 O75343 2/20 0.36
GUCY1A2 P33402 2/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL1780851 0.90 GUCY1A1 (0.56) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL18335005 0.90 GUCY1A1 (0.46) GUCY1A1GUCY1B1GUCY1B2GUCY1A2
SCHEMBL18335039 0.89 GUCY1A1 (0.45) GUCY1A1GUCY1B1
SCHEMBL18335015 0.89 GUCY1A1 (0.45) GUCY1A1GUCY1B1
SCHEMBL18044301 0.88 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL18335023 0.87 GUCY1A1 (0.41) GUCY1A1GUCY1B1GUCY1B2GUCY1A2KEAP1
SCHEMBL18335033 0.87 GUCY1A1 (0.41) GUCY1A1GUCY1B1GUCY1B2GUCY1A2KEAP1
SCHEMBL1781270 0.86 GUCY1A1 (0.56) GUCY1A1GUCY1B1
SCHEMBL18334997 0.85 GUCY1A1 (0.41) GUCY1A1GUCY1B1KEAP1NFE2L2
SCHEMBL18335041 0.83 RXRA (0.40) GUCY1A1GUCY1B1KEAP1NFE2L2

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-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP claimed