SCHEMBL7987795

SCHEMBL7987795

O=[N+]([O-])c1ccc(Oc2ccc(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.62
KCNH2 Q12809 2/20 0.59

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
SCHEMBL7994691 0.90 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7988711 0.88 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7989101 0.86 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7381889 0.86 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7987281 0.84 PDE4A (0.62) PDE4AKCNH2
SCHEMBL7976931 0.84 PDE4A (0.60) PDE4AKCNH2
SCHEMBL7987426 0.84 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7383450 0.84 PDE4A (0.75) PDE4AKCNH2
SCHEMBL7365286 0.84 PDE4A (0.61) PDE4AKCNH2
SCHEMBL7977187 0.83 PDE4A (0.61) PDE4AKCNH2

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
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US claimed
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed