SCHEMBL13810030

SCHEMBL13810030

CC(C)CS(=O)(=O)N1CCC(C2=CC(C(=O)N3CCCC4CCCCC43)CS2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 1/20 0.35
MMP13 P45452 1/20 0.33
CNR2 P34972 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
F12 P00748 1/20 0.30
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
TGM1 P22735 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
SCHEMBL13809991 0.87 EPHX2 (0.37) EPHX2HSD11B1MMP13CNR2POLB
SCHEMBL13810098 0.83 HSD11B1 (0.36) EPHX2HSD11B1CNR2POLBTDP1
SCHEMBL13809768 0.81 NPC1 (0.40) HSD11B1CNR2POLBTDP1NPC1
SCHEMBL13809966 0.81 CNR2 (0.34) HSD11B1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13809780 0.80 POLB (0.38) EPHX2HSD11B1CNR2POLBTDP1
SCHEMBL13809786 0.80 PDE4B (0.38) HSD11B1MMP13POLBTDP1NPC1
SCHEMBL13810072 0.79 NPC1 (0.45) EPHX2NPC1RAB9ASMN1; SMN2F13A1
SCHEMBL13809985 0.78 LMNA (0.34) HSD11B1CNR2POLBTDP1NPC1
SCHEMBL13810082 0.78 NPC1 (0.38) HSD11B1CNR2POLBTDP1NPC1
SCHEMBL13809974 0.78 SLC18A3 (0.36) HSD11B1POLBTDP1NPC1RAB9A

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