SCHEMBL4747653

SCHEMBL4747653

CCC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TLR9 Q9NR96 1/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLF5 Q13887 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL15255586 1.00 HTT (0.47) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10106882 0.87 HTT (0.48) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10101968 0.87 SMN1; SMN2 (0.46) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10107082 0.85 HTT (0.45) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15251323 0.82 HTT (0.42) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15251319 0.78 HTT (0.39) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15251318 0.78 HTT (0.39) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15251330 0.78 HTT (0.39) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10107043 0.78 HTT (0.51) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10107086 0.77 HTT (0.53) HTTMAPTSMN1; SMN2RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed