SCHEMBL4537048

SCHEMBL4537048

Cc1cccc(S(=O)(=O)N2CCCC(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
EPHX1 P07099 2/20 0.46
EPHX2 P34913 4/20 0.44
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 3/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4537257 0.95 LMNA (0.51) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4535909 0.89 LMNA (0.55) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4539317 0.89 HSD11B1 (0.49) LMNAUSP2EPHX1KMT2ANPC1
SCHEMBL4537575 0.89 ALDH1A1 (0.49) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4537427 0.88 SMN1; SMN2 (0.52) LMNAEPHX1EPHX2KMT2ANPC1
SCHEMBL4538146 0.87 CNR1 (0.47) LMNAUSP2EPHX1EPHX2KMT2A
SCHEMBL4542593 0.87 EPHX1 (0.50) LMNAUSP2EPHX1EPHX2
SCHEMBL4539985 0.84 TSHR (0.50) LMNAUSP2EPHX1KMT2ANPC1
SCHEMBL4539809 0.84 HSD11B1 (0.52) LMNAUSP2EPHX1KMT2ANPC1
SCHEMBL8053303 0.84 HSD11B1 (0.52) LMNAUSP2EPHX1KMT2ANPC1

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