SCHEMBL19976534

SCHEMBL19976534

COc1cc(-c2cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c2)cc2c1N=C(C(C)CCCCCC(=O)O)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FABP4 P15090 1/20 0.31
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
P2RY12 Q9H244 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PDE5A O76074 1/20 0.30
PTGS1 P23219 1/20 0.30
EPHX2 P34913 1/20 0.30
PTGS2 P35354 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
SCHEMBL21297662 0.86 POLB (0.39) POLBMAPK1SMN1; SMN2FABP4AKR1B1
SCHEMBL178267 0.80 TLR7 (0.35) MAPK1TLR7
SCHEMBL178132 0.77 POLB (0.38) POLBMAPK1SMN1; SMN2FABP4LMNA
SCHEMBL19976533 0.75 POLB (0.35) POLBMAPK1SMN1; SMN2LMNATLR7
SCHEMBL21297676 0.74 LMNA (0.36) POLBMAPK1AKR1B1LMNAPDE5A
SCHEMBL19976557 0.71 POLB (0.37) POLBMAPK1SMN1; SMN2FABP4LMNA
SCHEMBL21524634 0.70 LMNA (0.47) POLBMAPK1SMN1; SMN2AKR1B1LMNA
SCHEMBL178263 0.69 LMNA (0.35) POLBMAPK1AKR1B1LMNAPTGS1
SCHEMBL16252079 0.69 TLR7 (0.34) TLR7
SCHEMBL17689339 0.69 LMNA (0.50) POLBMAPK1SMN1; SMN2FABP4AKR1B1

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed