SCHEMBL6699595

SCHEMBL6699595

O=CC(=O)Nc1cn(Cc2ccc(F)cc2)c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ ENPP2 Q13822 5/20 0.44
▸ TP53 P04637 1/20 0.42

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
SCHEMBL5533097 0.78 PDE4A (0.38) THRBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL5531063 0.73 MEN1 (0.36) THRBSMN1; SMN2MAPTPOLBMEN1
SCHEMBL6699599 0.71 IDO1 (0.57) THRBALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL6579228 0.71 TUBB4A (0.53) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL8804492 0.69 YES1 (0.54) SMN1; SMN2MAPTGAAPOLBMEN1
SCHEMBL27728387 0.68 POLB (0.72) ALDH1A1HTTSMN1; SMN2MAPTPOLB
SCHEMBL2932649 0.68 THRB (0.58) THRBSMN1; SMN2MAPTGAAPOLB
SCHEMBL8805633 0.68 YES1 (0.68) MAPTPOLBMEN1KMT2APDE4A
SCHEMBL17195555 0.68 HDAC6 (0.57) ALDH1A1HTTSMN1; SMN2MAPTGAA
SCHEMBL1684129 0.67 POLB (0.42) MAPTPOLBMEN1KMT2AIDO1

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
WO-2004098605-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PDE4 INHIBITOR AND IL-1 TRAP ALTANA PHARMA AG (DE) 2004-11-18 — — WO disclosed
Send feedback