SCHEMBL4537192

SCHEMBL4537192

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
NAMPT P43490 2/20 0.48
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
HTR6 P50406 1/20 0.42
USP5 P45974 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
SCHEMBL4537525 0.89 EPHX2 (0.50) ALDH1A1L3MBTL1KMT2AMAPTMEN1
SCHEMBL4540074 0.89 FBP1 (0.50) ALDH1A1POLBL3MBTL1KMT2AMAPT
SCHEMBL4535924 0.88 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1NAMPTKMT2A
SCHEMBL4540478 0.88 KMT2A (0.50) ALDH1A1POLBL3MBTL1KMT2AMAPT
SCHEMBL4539993 0.86 ALDH1A1 (0.51) ALDH1A1POLBL3MBTL1PKMKMT2A
SCHEMBL4542594 0.85 MEN1 (0.47) ALDH1A1POLBL3MBTL1NAMPTKMT2A
SCHEMBL4536853 0.85 EPHX1 (0.49) ALDH1A1POLBL3MBTL1NAMPTKMT2A
SCHEMBL4542924 0.84 CYP3A4 (0.59) ALDH1A1L3MBTL1NAMPTKMT2AMAPT
SCHEMBL4537541 0.82 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1PKMKMT2A
SCHEMBL4535453 0.82 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1NAMPTKMT2A

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