SCHEMBL8559925

SCHEMBL8559925

O=S(=O)(Nc1nc(CCCc2ccccc2)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
AURKA O14965 1/20 0.42
NR4A2 P43354 3/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
AOC3 Q16853 1/20 0.41
HTR6 P50406 2/20 0.41
MAPT P10636 3/20 0.40
HSD11B1 P28845 2/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HDAC1 Q13547 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL8555234 0.93 AURKA (0.44) ALDH1A1AURKANR4A2HTR6MAPT
SCHEMBL8557471 0.86 MAPT (0.48) ALDH1A1AURKAMAPTHSD11B1KDM4E
SCHEMBL8559306 0.86 RXRA (0.60) ALDH1A1NR4A2RXRARXRBRXRG
SCHEMBL8554937 0.85 MAPT (0.44) ALDH1A1AURKANR4A2MAPTHSD11B1
SCHEMBL8556747 0.83 RXRA (0.59) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8557930 0.82 HSD11B1 (0.44) ALDH1A1NR4A2MAPTHSD11B1KDM4E
SCHEMBL8560630 0.82 MAPT (0.49) ALDH1A1MAPTHSD11B1KDM4ENPSR1
SCHEMBL8560566 0.82 NR4A2 (0.47) ALDH1A1NR4A2RXRARXRBRXRG
SCHEMBL8554882 0.80 NR4A2 (0.57) ALDH1A1NR4A2RXRARXRBRXRG
SCHEMBL8555804 0.80 TP53 (0.46) ALDH1A1AURKANR4A2RXRARXRB

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed