SCHEMBL10440441

SCHEMBL10440441

CCOCCCOc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.41
HTR1A P08908 3/20 0.39
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9796724 0.85 PPOX (0.37) PPOXHTR1AAR
SCHEMBL10440334 0.83 PPOX (0.43) PPOXARSMN1; SMN2MEN1KMT2A
SCHEMBL10938117 0.80 PPOX (0.51) PPOXHTR1AARSMN1; SMN2
SCHEMBL9664148 0.79 PPOX (0.45) PPOXARSMN1; SMN2
SCHEMBL10440318 0.77 AR (0.45) PPOXARSMN1; SMN2KMT2A
SCHEMBL9663293 0.76 PPOX (0.44) PPOXAR
SCHEMBL10463025 0.76 AR (0.40) ARSMN1; SMN2KMT2A
SCHEMBL9663499 0.74 PPOX (0.44) PPOXHTR1AMEN1KMT2A
SCHEMBL9796900 0.74 PPOX (0.35) PPOXAR
SCHEMBL10940936 0.74 PPOX (0.47) PPOXHTR1AARSMN1; SMN2KMT2A

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-0363585-A1 N-aryl nitrogen heterocycles BAYER AG (DE) 1990-04-18 EP disclosed