SCHEMBL6906809

SCHEMBL6906809

CCCCCCCCCCCC[n+]1cccc(C(=O)NCCCCCCNC(=O)c2ccc[n+](CCCCCCCCCCCC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.62
LMNA P02545 2/20 0.61
HSP90AA1 P07900 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAD52 P43351 1/20 0.61
APAF1 O14727 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
XBP1 P17861 1/20 0.61
HTT P42858 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.54
CA2 P00918 1/20 0.51
HDAC3 O15379 4/20 0.49
MLYCD O95822 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
Bromide SCHEMBL6910675 0.99 HSP90AA1 (0.63) NAAALMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL6908838 0.84 NAAA (0.67) NAAALMNAHSP90AA1SMN1; SMN2APAF1
SCHEMBL6904930 0.84 NAAA (0.67) NAAALMNAHSP90AA1SMN1; SMN2APAF1
Bromide SCHEMBL11256908 0.84 NAAA (0.63) NAAALMNASMN1; SMN2USP2ALDH1A1
SCHEMBL8057857 0.83 NAAA (0.66) NAAASMN1; SMN2USP2ALDH1A1L3MBTL1
SCHEMBL2760923 0.83 LMNA (0.47) NAAALMNAHSP90AA1SMN1; SMN2RAD52
Bromide SCHEMBL8915380 0.83 NAAA (0.65) NAAALMNAHSP90AA1SMN1; SMN2APAF1
Bromide SCHEMBL2037725 0.83 NAAA (0.65) NAAALMNAHSP90AA1SMN1; SMN2APAF1
Bromide SCHEMBL305573 0.83 NAAA (0.65) NAAALMNAHSP90AA1SMN1; SMN2APAF1
Bromide SCHEMBL6909168 0.83 NAAA (0.65) NAAALMNAHSP90AA1SMN1; SMN2APAF1

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
EP-0998851-B1 Antibacterial and antifungal resin composition INUI CORP (JP) 2004-01-28 EP claimed