SCHEMBL19976527

SCHEMBL19976527

CCC(C)/C=C/C(C)(CC)c1ccnc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.39
PSMB8 P28062 3/20 0.36
PPARD Q03181 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PSMB5 P28074 1/20 0.31
HDAC1 Q13547 1/20 0.31
POLB P06746 1/20 0.31
SCN7A Q01118 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
CBLB Q13191 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
ALKBH2 Q6NS38 1/20 0.30
ALKBH3 Q96Q83 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
SCHEMBL204326 0.87 DDR1 (0.42) DDR1PSMB8MRGPRX4EPHX2KDM4E
SCHEMBL100972 0.73 KDM4C (0.36) DDR1PSMB8EPHX2KDM4EHDAC1
SCHEMBL10126852 0.70
SCHEMBL21297672 0.69 LOXL2 (0.42) DDR1KDM4EPOLBLOXL2
SCHEMBL206112 0.69 ALDH1A1 (0.38) DDR1
SCHEMBL22259789 0.69 ALDH1A1 (0.37) DDR1
SCHEMBL202519 0.67 MAPK8 (0.33)
SCHEMBL22259739 0.67 METTL3 (0.31)
SCHEMBL22328739 0.62 HPGD (0.37) HDAC1POLBSCN9A
SCHEMBL18922253 0.62 RAF1 (0.43) DDR1EPHX2

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