SCHEMBL12966950

SCHEMBL12966950

CCNCCCNC(=O)c1ccc(Nc2cccc(/C=C/c3ccc(OC)cc3)c2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.48
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ APP P05067 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL12767156 0.88 SNCA (0.46) SNCANPC1RAB9AGAAMAPT
SCHEMBL12967265 0.88 HDAC6 (0.39) RAB9ASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL15763557 0.87 SIGMAR1 (0.46) SNCANPC1RAB9AGAAMAPT
SCHEMBL12964620 0.87 MAPT (0.49) NPC1GAAMAPTSMN1; SMN2HPGD
SCHEMBL12964542 0.86 NPC1 (0.51) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL12767155 0.86 SNCA (0.49) SNCANPC1RAB9AAPPSMN1; SMN2
SCHEMBL12967414 0.77 APP (0.37) NPC1RAB9AGAAMAPTAPP
SCHEMBL15878029 0.76 SNCA (0.53) SNCANPC1RAB9AGAAMAPT
SCHEMBL12767150 0.76 SNCA (0.53) SNCANPC1RAB9AGAAMAPT
SCHEMBL15894878 0.76 GAA (0.52) NPC1RAB9AGAAMAPTSMN1; SMN2

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
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 — — WO disclosed
Send feedback