SCHEMBL8069490

SCHEMBL8069490

O=C(NCC1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@]12CC3CCC[C@@H](CC3C1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.51
BRD2 P25440 4/20 0.51
BRD3 Q15059 3/20 0.47
BRDT Q58F21 3/20 0.47
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL8060981 0.89 PSEN1 (0.45) PAX8
SCHEMBL8069510 0.87 BRD4 (0.53) BRD4BRD2BRD3BRDT
SCHEMBL4536836 0.81 BRD4 (0.55) BRD4BRD2BRD3BRDTRAB9A
SCHEMBL4535339 0.80 ATM (0.47) RAB9APAX8
SCHEMBL4542333 0.78 PSEN1 (0.51) PAX8
SCHEMBL4541154 0.78 RAB9A (0.56) RAB9APAX8
SCHEMBL4538787 0.78 PSEN1 (0.51) PAX8
SCHEMBL4541859 0.77 RAB9A (0.54) RAB9A
SCHEMBL8064995 0.77 BDKRB1 (0.51)
SCHEMBL4536842 0.77 RAB9A (0.50) RAB9A

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