SCHEMBL5048491

SCHEMBL5048491

C[CH]NS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.63
CA2 P00918 1/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NSD2 O96028 1/20 0.59
F2 P00734 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
EDNRB P24530 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL15515526 0.88 EDNRA (0.63) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL15224136 0.84 EDNRA (0.67) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL8906934 0.82 CA2 (0.65) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL2373089 0.81 CA2 (0.63) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL235824 0.81 CA2 (0.68) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL18744634 0.81 F2 (0.65) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL23753961 0.79 CA2 (0.66) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL11406892 0.79 EDNRA (0.63) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL15498124 0.79 NSD2 (0.67) EDNRACA2KDM4ETSHRHSD17B10
SCHEMBL14176763 0.79 CA2 (0.61) EDNRACA2KDM4ETSHRHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080011853-A1 Product Packaging Including Digital Data VERIFICATION TECHNOLOGIES, INC. (US) 2008-01-17 US disclosed
US-7237720-B2 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2007-07-03 US disclosed
US-20070001011-A1 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2007-01-04 US disclosed
US-7124944-B2 Product packaging including digital data VERIFICATION TECHNOLOGIES, INC. (US) 2006-10-24 US disclosed
US-20050153128-A1 Product packaging including digital data SELINFREUND RICHARD H (US) 2005-07-14 US disclosed