SCHEMBL5047697

SCHEMBL5047697

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccc(Oc3ccccc3)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
STAT3 P40763 1/20 0.44
HDAC3 O15379 2/20 0.43
SIGMAR1 Q99720 6/20 0.43
TMEM97 Q5BJF2 4/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP2 P08253 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL1854634 0.88 STAT3 (0.44) NAAASTAT3HDAC3SIGMAR1TMEM97
SCHEMBL5044268 0.88 NAAA (0.60) NAAAHDAC3SIGMAR1TMEM97HPGD
SCHEMBL5047455 0.88 MEN1 (0.48) HDAC3MEN1NPC1RAB9AKMT2A
SCHEMBL5045478 0.85 NAAA (0.54) NAAASTAT3SIGMAR1TMEM97MEN1
SCHEMBL5045568 0.85 FOLH1 (0.46) NAAASIGMAR1TMEM97HPGDMEN1
SCHEMBL27619621 0.85 NAAA (0.48) NAAAHDAC3HPGDMEN1NPC1
SCHEMBL5044933 0.83 LMNA (0.46) STAT3HPGDSMN1; SMN2MAPK14
SCHEMBL5048866 0.82 NPC1 (0.48) HDAC3MEN1NPC1RAB9AKMT2A
SCHEMBL5040041 0.82 NAAA (0.48) NAAAHDAC3SIGMAR1TMEM97HPGD
SCHEMBL5044795 0.80 MEN1 (0.45) HDAC3MEN1NPC1RAB9AKMT2A

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