SCHEMBL8069502

SCHEMBL8069502

O=C(NCC1CCCN1S(=O)(=O)c1ccc(F)cc1)NC12CC3C[C@H](C1)C[C@@H](C3)C2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CCR3 P51677 1/20 0.49
EPHX2 P34913 7/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 5/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL4542461 1.00 RAB9A (0.50) RAB9ANPC1CCR3EPHX2MEN1
SCHEMBL4534756 0.97 RAB9A (0.49) RAB9ANPC1CCR3EPHX2MEN1
SCHEMBL4537316 0.90 LMNA (0.56) RAB9AEPHX2EPHX1
SCHEMBL4542345 0.90 EPHX2 (0.56) RAB9AEPHX2EPHX1
SCHEMBL8064929 0.87 RAB9A (0.59) RAB9ANPC1EPHX2EPHX1
SCHEMBL4542837 0.87 RAB9A (0.53) RAB9AEPHX2EPHX1
SCHEMBL4539998 0.87 LMNA (0.55) EPHX2EPHX1
SCHEMBL4535376 0.87 BRD4 (0.54) EPHX2EPHX1
SCHEMBL4535339 0.86 ATM (0.47) RAB9AATM
SCHEMBL4542153 0.86 ALDH1A1 (0.47) RAB9ANPC1EPHX1ATM

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