Sugi Predict

Sugi Predict / Compounds / SCHEMBL8049802

SCHEMBL8049802

SCHEMBL8049802

O=C(NCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.46
▸ USP5 P45974 1/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL8060142 0.85 KMT2A (0.46) KMT2ASMN1; SMN2L3MBTL1CNR1GAA
SCHEMBL4541162 0.85 EPHX2 (0.50) KMT2ASMN1; SMN2L3MBTL1GAALMNA
SCHEMBL4542443 0.85 FBP1 (0.50) KMT2ASMN1; SMN2L3MBTL1GAALMNA
SCHEMBL8062169 0.85 FBP1 (0.50) KMT2ASMN1; SMN2L3MBTL1GAALMNA
SCHEMBL4541037 0.85 ALDH1A1 (0.61) KMT2AL3MBTL1GAAHPGDLMNA
SCHEMBL8064995 0.83 BDKRB1 (0.51) KMT2ASMN1; SMN2CNR1
SCHEMBL4541867 0.82 CNR1 (0.51) KMT2ASMN1; SMN2L3MBTL1CNR1GAA
SCHEMBL4540476 0.81 EPHX2 (0.51) KMT2AL3MBTL1CNR1LMNA
SCHEMBL31638623 0.81 CNR1 (0.54) KMT2ASMN1; SMN2L3MBTL1CNR1GAA
SCHEMBL4535499 0.81 ALDH1A1 (0.56) KMT2AL3MBTL1GAAUSP5

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 disclosed