SCHEMBL5884693

SCHEMBL5884693

CCON=Cc1ccc(OCCCCCCNc2ccc(Cl)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 15/20 0.39
RAB9A P51151 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
SCHEMBL5884838 1.00 MEN1 (0.41) MEN1KMT2ANPC1KCNH2MAPT
SCHEMBL5884754 0.99 MEN1 (0.41) MEN1KMT2ANPC1KCNH2MAPT
SCHEMBL5884921 0.84 MEN1 (0.43) MEN1KMT2AKCNH2MAPTTDP1
SCHEMBL5884495 0.80 ALDH1A1 (0.43) NPC1MAPTL3MBTL1RAB9A
SCHEMBL5883768 0.79 KCNH2 (0.43) MEN1KMT2AKCNH2MAPTTDP1
SCHEMBL5884295 0.77 KCNH2 (0.41) MEN1KMT2AKCNH2MAPTTDP1
SCHEMBL17233409 0.73 KCNH2 (0.48) MEN1KMT2AKCNH2MAPTTDP1
SCHEMBL17233014 0.73 KCNH2 (0.48) MEN1KMT2AKCNH2MAPTTDP1
SCHEMBL18598163 0.73 MEN1 (0.56) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL17233046 0.72 KCNH2 (0.65) MEN1KMT2AKCNH2MAPTTDP1

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed