SCHEMBL6037265

SCHEMBL6037265

CN(C)c1cccc2c(OS(=O)(=O)O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
EDNRA P25101 8/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL10647420 0.84 SLC22A6 (0.53) TDP1KMT2ASLC22A6CHEK1MEN1
SCHEMBL7755609 0.77 TTR (0.55) TDP1KMT2ASLC22A6MEN1ESR1
SCHEMBL15362255 0.74 IDO1 (0.48) CA2F2PRSS1PRSS2PRSS3
SCHEMBL29941705 0.74 CA2 (0.69) CA2F2PRSS1PRSS2PRSS3
SCHEMBL133520 0.74 CA2 (0.69) CA2F2PRSS1PRSS2PRSS3
SCHEMBL29367067 0.74 CA2 (0.69) CA2F2PRSS1PRSS2PRSS3
SCHEMBL8388037 0.73 INPPL1 (0.50) CA2F2PRSS1PRSS2PRSS3
SCHEMBL275479 0.73 SLC22A6 (0.51) CA2CYP1A2CYP2C19TDP1L3MBTL1
SCHEMBL8720110 0.73 CHEK1 (0.65) CA2F2PRSS1PRSS2PRSS3
Water SCHEMBL29242598 0.72 CA2 (0.67) CA2F2PRSS1PRSS2PRSS3

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
US-20060225344-A1 Identification labels in plants or plant parts PLANT RESEARCH INTERNATIONAL B.V. (NL) 2006-10-12 US claimed