SCHEMBL4535339

SCHEMBL4535339

O=C(NCC1CCCN1S(=O)(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
RAB9A P51151 2/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.46
TRPA1 O75762 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PAX8 Q06710 1/20 0.45

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
SCHEMBL4536842 0.97 RAB9A (0.50) ATMRAB9ASMN1; SMN2
SCHEMBL4537510 0.90 RAB9A (0.56) ATMRAB9AHTR7LMNATRPA1
SCHEMBL4541154 0.90 RAB9A (0.56) RAB9APAX8
SCHEMBL4542333 0.90 PSEN1 (0.51) LMNAPAX8
SCHEMBL4538787 0.90 PSEN1 (0.51) LMNAPAX8
SCHEMBL4541859 0.89 RAB9A (0.54) RAB9A
SCHEMBL4539543 0.88 RAB9A (0.47) RAB9A
SCHEMBL4535257 0.87 RAB9A (0.53) RAB9APAX8
SCHEMBL4535933 0.87 PSEN1 (0.56) LMNAPAX8
SCHEMBL4539052 0.87 ALDH1A1 (0.47) RAB9APAX8

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