SCHEMBL4542924

SCHEMBL4542924

O=C(NCC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
NAMPT P43490 2/20 0.55
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
CYP19A1 P11511 1/20 0.48
DPP4 P27487 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
GLA P06280 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
SCHEMBL4535924 0.96 ALDH1A1 (0.59) CYP3A4CYP2C19NAMPTALDH1A1KMT2A
SCHEMBL4542202 0.90 KMT2A (0.49) CYP3A4CYP2C19NAMPTALDH1A1KMT2A
SCHEMBL4540008 0.90 MEN1 (0.50) CYP3A4CYP2C19NAMPTALDH1A1KMT2A
SCHEMBL4541300 0.89 USP30 (0.48) CYP3A4CYP2C19NAMPTALDH1A1L3MBTL1
SCHEMBL4537587 0.87 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTTP53LMNA
SCHEMBL4539044 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4537967 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL4535775 0.86 CYP3A4 (0.61) CYP3A4CYP2C19NAMPTALDH1A1KMT2A
SCHEMBL4537395 0.85 USP30 (0.50) NAMPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4537192 0.84 ALDH1A1 (0.52) NAMPTALDH1A1KMT2AMEN1MAPT

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