SCHEMBL19976533

SCHEMBL19976533

COc1cc(-c2cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c2)cc2c1[N+](CCCC(=O)O)=C(C)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
SLC10A2 Q12908 1/20 0.31

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
SCHEMBL178132 0.97 POLB (0.38) POLBMAPK1SMN1; SMN2TLR7LMNA
SCHEMBL16252079 0.93 TLR7 (0.34) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL203415 0.85 LMNA (0.36) LMNAKMT2AHDAC3HDAC4HDAC1
SCHEMBL178263 0.82 LMNA (0.35) POLBMAPK1LMNAHDAC3HDAC4
SCHEMBL21297662 0.78 POLB (0.39) POLBMAPK1SMN1; SMN2TLR7LMNA
SCHEMBL16252093 0.77 MEN1 (0.32) LMNAKMT2A
SCHEMBL19062963 0.77 PTPN1 (0.38)
SCHEMBL21524641 0.77 LMNA (0.31) LMNA
SCHEMBL19976571 0.76 PTPN1 (0.36)
SCHEMBL16252091 0.76 HTT (0.34) POLBMAPK1HPGDKMT2ANPSR1

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