SCHEMBL5039799

SCHEMBL5039799

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TMEM97 Q5BJF2 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
NAAA Q02083 2/20 0.51
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MLYCD O95822 1/20 0.49
CA2 P00918 1/20 0.48
PYGL P06737 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL5048875 0.87 L3MBTL1 (0.54) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL1854601 0.87 TMEM97 (0.51) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL5047873 0.84 LMNA (0.54) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL5044615 0.84 TMEM97 (0.60) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL5045657 0.82 NAAA (0.71) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL5040097 0.81 NPC1 (0.68) L3MBTL1SIGMAR1NAAATHRATHRB
SCHEMBL5049475 0.80 NPC1 (0.56) L3MBTL1TMEM97SIGMAR1NAAATHRA
SCHEMBL5044268 0.78 NAAA (0.60) L3MBTL1TMEM97SIGMAR1NAAACA2
SCHEMBL5040331 0.78 SMN1; SMN2 (0.54) L3MBTL1TMEM97SIGMAR1NAAASMN1; SMN2
SCHEMBL5048884 0.77 NAAA (0.55) L3MBTL1TMEM97SIGMAR1NAAATHRA

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