SCHEMBL807013

SCHEMBL807013

O=C(c1csc(Nc2ccc3c(c2)OCO3)n1)N1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 7/20 1.00
TRPC6 Q9Y210 7/20 1.00
MDM2 Q00987 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
PTGS2 P35354 4/20 0.51
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.46
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL23771772 0.83 TRPC3 (1.00) TRPC3TRPC6MDM2L3MBTL1ALDH1A1
SCHEMBL807014 0.81 TRPC3 (0.73) TRPC3TRPC6MDM2L3MBTL1ALDH1A1
SCHEMBL789016 0.80 TRPC3 (1.00) TRPC3TRPC6MDM2L3MBTL1ALDH1A1
SCHEMBL23771822 0.78 TRPC3 (1.00) TRPC3TRPC6ALDH1A1SMN1; SMN2NPC1
SCHEMBL28712408 0.77 TRPC3 (0.68) TRPC3TRPC6ALDH1A1SMN1; SMN2NPC1
SCHEMBL28717655 0.77 TRPC3 (0.65) TRPC3TRPC6ALDH1A1SMN1; SMN2NPC1
SCHEMBL798510 0.76 TRPC3 (0.67) TRPC3TRPC6MDM2L3MBTL1ALDH1A1
SCHEMBL806828 0.76 TRPC3 (0.64) TRPC3TRPC6MDM2L3MBTL1ALDH1A1
SCHEMBL23771825 0.75 TRPC3 (1.00) TRPC3TRPC6NPC1PTGS2RAB9A
SCHEMBL21536306 0.74 HTT (0.72) ALDH1A1SMN1; SMN2HPGDNPC1TP53

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-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed