SCHEMBL17614667

SCHEMBL17614667

O=C1C=CC(=O)N1CCCCNC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MGLL Q99685 5/20 0.52
▸ FAAH O00519 4/20 0.52
▸ CA3 P07451 2/20 0.51
▸ CA5A P35218 2/20 0.51
▸ CA5B Q9Y2D0 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50

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
SCHEMBL13171247 0.98 MEN1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12305127 0.95 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12094240 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16089528 0.80 MGLL (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16095854 0.78 MGLL (0.61) ALDH1A1SMN1; SMN2MGLLFAAHHPGD
SCHEMBL12021061 0.78 MGLL (0.61) ALDH1A1SMN1; SMN2MGLLFAAHHPGD
SCHEMBL17742317 0.78 MGLL (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11911312 0.77 MGLL (0.59) ALDH1A1SMN1; SMN2MGLLFAAHHPGD
SCHEMBL29364882 0.77 MGLL (0.59) ALDH1A1SMN1; SMN2MGLLFAAHHPGD
SCHEMBL27889238 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-9493609-B2 N-maleimidyl polymer derivatives NEKTAR THERAPEUTICS (US) 2016-11-15 — — US disclosed
US-20160083514-A1 N-MALEIMIDYL POLYMER DERIVATIVES NEKTAR THERAPEUTICS 2016-03-24 — — US disclosed
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