SCHEMBL7994691

SCHEMBL7994691

O=[N+]([O-])c1ccc(Oc2ccc(C(Cc3ccncc3)c3ccc(OC(F)F)c(OC(F)F)c3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.53
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7987795 0.90 PDE4A (0.62) PDE4AKCNH2
SCHEMBL7379831 0.86 PDE4A (0.58) PDE4AKCNH2
SCHEMBL7976870 0.84 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7994385 0.82 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7977309 0.82 PDE4A (0.52) PDE4AKCNH2
SCHEMBL7384382 0.82 PDE4A (0.57) PDE4AKCNH2
SCHEMBL7383186 0.82 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7977060 0.81 HSPB1 (0.48)
SCHEMBL7991261 0.81 HSPB1 (0.48) PDE4A
SCHEMBL7990957 0.79 RAB9A (0.39) PDE4A

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