SCHEMBL4540478

SCHEMBL4540478

O=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CNR1 P21554 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 1/20 0.43

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
SCHEMBL4537395 0.89 USP30 (0.50) KMT2AL3MBTL1ALDH1A1GAAMEN1
SCHEMBL4537192 0.88 ALDH1A1 (0.52) KMT2AL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4540074 0.86 FBP1 (0.50) KMT2AL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL4537525 0.86 EPHX2 (0.50) KMT2AL3MBTL1ALDH1A1GAAMEN1
SCHEMBL4541300 0.85 USP30 (0.48) L3MBTL1ALDH1A1GAA
SCHEMBL4539993 0.84 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL4542594 0.83 MEN1 (0.47) KMT2AL3MBTL1ALDH1A1LMNAGAA
SCHEMBL4536853 0.83 EPHX1 (0.49) KMT2AL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL4535924 0.82 ALDH1A1 (0.59) KMT2AL3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL4535453 0.80 ALDH1A1 (0.56) KMT2AL3MBTL1ALDH1A1LMNASMN1; SMN2

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed