SCHEMBL13810098

SCHEMBL13810098

O=C(C1C=C(C2CCN(S(=O)(=O)C3CC3)CC2)SC1)N1CCCC2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.34
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
HSD17B1 P14061 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL13809768 0.87 NPC1 (0.40) HSD11B1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL13809991 0.86 EPHX2 (0.37) HSD11B1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13810083 0.85 NPC1 (0.37) HSD11B1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL13810072 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2EPHX2F13A1
SCHEMBL13810082 0.83 NPC1 (0.38) HSD11B1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL13810030 0.83 EPHX2 (0.40) HSD11B1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13809780 0.83 POLB (0.38) HSD11B1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13809787 0.83 NPC1 (0.36) HSD11B1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL13810079 0.83 NPC1 (0.36) HSD11B1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13809989 0.82 NPC1 (0.37) HSD11B1NPC1RAB9ASMN1; SMN2CNR2

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-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 WO disclosed