SCHEMBL8059966

SCHEMBL8059966

O=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)NC12CC3CCCC(C1)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 2/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
AKR1C3 P42330 1/20 0.38
DPP4 P27487 1/20 0.38
CCR6 P51684 1/20 0.38
POLB P06746 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CHRM1 P11229 1/20 0.37
GCK P35557 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4539317 0.91 HSD11B1 (0.49) KMT2AMEN1ALDH1A1HSD11B1LMNA
SCHEMBL8048283 0.90 SMN1; SMN2 (0.42) KMT2AALDH1A1LMNAGAADPP4
SCHEMBL8058688 0.89 KMT2A (0.45) KMT2AMEN1LMNAGAAPOLB
SCHEMBL8053303 0.87 HSD11B1 (0.52) KMT2AMEN1ALDH1A1HSD11B1LMNA
SCHEMBL4539809 0.87 HSD11B1 (0.52) KMT2AMEN1ALDH1A1HSD11B1LMNA
SCHEMBL8063498 0.87 POLB (0.39) LMNAHTTTSHRALOX12NPSR1
SCHEMBL8058685 0.84 HSD11B1 (0.49) HSD11B1
SCHEMBL4542374 0.81 HSD11B1 (0.53) KMT2AMEN1ALDH1A1HSD11B1LMNA
SCHEMBL4537048 0.81 LMNA (0.47) KMT2AMEN1LMNAGAAUSP2
SCHEMBL4537343 0.80 LMNA (0.59) KMT2AMEN1ALDH1A1LMNAHTT

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