SCHEMBL4540834

SCHEMBL4540834

O=C(NCC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
FBP1 P09467 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM1 P11229 1/20 0.43
P2RX7 Q99572 1/20 0.42
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4535853 0.93 FBP1 (0.46) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL8062169 0.91 FBP1 (0.50) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL4542443 0.91 FBP1 (0.50) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL4539368 0.90 KMT2A (0.46) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL4542877 0.85 HSD11B1 (0.44) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL8053633 0.82 ALDH1A1 (0.43) HSD11B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4537989 0.81 P2RX7 (0.46) HSD11B1ALDH1A1KMT2AP2RX7HPGD
SCHEMBL8048322 0.81 ALDH1A1 (0.45) HSD11B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4530583 0.81 EPHX2 (0.46) HSD11B1FBP1ALDH1A1MEN1KMT2A
SCHEMBL4543002 0.81 ALDH1A1 (0.45) HSD11B1ALDH1A1MEN1KMT2AHPGD

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