SCHEMBL4539846

SCHEMBL4539846

N#Cc1cccc(S(=O)(=O)N2CCC(CNC(=O)C34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
ALDH1A1 P00352 3/20 0.41
USP30 Q70CQ3 1/20 0.40
HPGD P15428 1/20 0.39
F10 P00742 1/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SFRP1 Q8N474 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL4542100 0.89 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1POLBGAA
SCHEMBL8053633 0.87 ALDH1A1 (0.43) ALDH1A1HPGDLMNAUSP2L3MBTL1
SCHEMBL4535853 0.86 FBP1 (0.46) ALDH1A1HPGDLMNA
SCHEMBL4530583 0.86 EPHX2 (0.46) ALDH1A1HPGDLMNAUSP2L3MBTL1
SCHEMBL4543002 0.86 ALDH1A1 (0.45) ALDH1A1HPGDLMNAUSP2L3MBTL1
SCHEMBL8048322 0.86 ALDH1A1 (0.45) ALDH1A1HPGDLMNAUSP2L3MBTL1
SCHEMBL4542831 0.85 ALDH1A1 (0.53) ALDH1A1HPGDLMNAL3MBTL1GAA
SCHEMBL8060988 0.83 PKM (0.49) ALDH1A1HPGDLMNAUSP2POLB
SCHEMBL4534329 0.83 PKM (0.49) ALDH1A1HPGDLMNAUSP2POLB
SCHEMBL4539836 0.83 KMT2A (0.49) ALDH1A1LMNAPOLB

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed