SCHEMBL5047548

SCHEMBL5047548

CCCCCCCCCCCCNC(=O)c1cccc(CN(O)Cc2cccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NAAA Q02083 2/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
BRD4 O60885 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL5049475 0.89 NPC1 (0.56) SMN1; SMN2NAAANPC1RAB9AALDH1A1
SCHEMBL1857104 0.87 ALDH1A1 (0.53) SMN1; SMN2NAAANPC1RAB9AALDH1A1
SCHEMBL5041082 0.85 NAAA (0.60) SMN1; SMN2NAAAKMT2ALMNATMEM97
SCHEMBL5039921 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NAAANPC1RAB9ALMNA
SCHEMBL5044104 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NAAAMAPTGAALMNA
SCHEMBL28752185 0.84 SNCA (0.55) SMN1; SMN2NAAANPC1RAB9AALDH1A1
SCHEMBL5040331 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL5044578 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NAAANPC1RAB9AKMT2A
SCHEMBL5044747 0.81 HDAC2 (0.52) SMN1; SMN2NAAANPC1RAB9AGAA
SCHEMBL5039808 0.81 GAA (0.56) SMN1; SMN2NAAANPC1RAB9AMAPT

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed