SCHEMBL19976563

SCHEMBL19976563

Cc1cc(CNCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
SLC40A1 Q9NP59 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL15500255 0.92 AKR1C3 (0.36) METTL3ADORA2AADORA1HDAC3HDAC4
SCHEMBL15500277 0.89 FABP4 (0.40) BCHEACHE
SCHEMBL17689338 0.86 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21297663 0.83 MAPK8 (0.35) METTL3TLR7MAOBMEN1KMT2A
SCHEMBL101551 0.80 METTL3 (0.31) METTL3HDAC3HDAC1HDAC6TLR7
SCHEMBL202519 0.77 MAPK8 (0.33) METTL3
SCHEMBL101553 0.76 EPHX1 (0.39) METTL3ADORA2AADORA1HDAC1HDAC2
SCHEMBL22259739 0.76 METTL3 (0.31) METTL3
SCHEMBL17689339 0.76 LMNA (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19976528 0.76 PDE5A (0.42) HDAC6BCHEACHE

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