SCHEMBL4751335

SCHEMBL4751335

COc1cc(I)c(C(C)=NOCc2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLF5 Q13887 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NTSR1 P30989 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL4750955 1.00 HTT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL660122 0.89 HTT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15251323 0.88 HTT (0.42) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14042048 0.87 HTT (0.46) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10102111 0.87 SMN1; SMN2 (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10101922 0.87 SMN1; SMN2 (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10106884 0.85 HTT (0.42) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10107220 0.84 MAPT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10107307 0.84 TUBB4A (0.35) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL10106932 0.83 MAPT (0.50) HTTMAPTSMN1; SMN2NPC1RAB9A

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