SCHEMBL7972622

SCHEMBL7972622

N#Cc1cccc(S(=O)(=O)NCc2cccc(OCCCCCOc3cccc(CNS(=O)(=O)c4cccc(C#N)c4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.56
PGR P06401 1/20 0.47
NAMPT P43490 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
ROCK1 Q13464 1/20 0.42
SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL7982844 0.91 CYP19A1 (0.53) CYP19A1PGRNAMPTHRH2HRH1
SCHEMBL7972170 0.91 CYP19A1 (0.53) CYP19A1PGRNAMPTHRH2HRH1
SCHEMBL7983044 0.89 CYP19A1 (0.72) CYP19A1NAMPT
SCHEMBL7989727 0.89 CYP19A1 (0.55) CYP19A1PGRNAMPTHRH2HRH1
SCHEMBL7973407 0.87 CYP19A1 (0.55) CYP19A1PGRNAMPTHRH2HRH1
SCHEMBL7972389 0.85 CYP19A1 (0.56) CYP19A1PGRNAMPTHRH2HRH1
SCHEMBL4019035 0.81 CYP19A1 (0.65) CYP19A1PGRNAMPTRAB9A
SCHEMBL7538755 0.77 PRSS1 (0.59) RAB9A
SCHEMBL7596818 0.77 CYP19A1 (0.57) CYP19A1PGRNAMPTMAPT
SCHEMBL7473770 0.75 MAOB (0.57) ROCK1

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed