SCHEMBL3352833

SCHEMBL3352833

CCN1CCC(n2ncc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GLS O94925 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ACHE P22303 2/20 0.39
HTR7 P34969 3/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL3349251 0.91 LMNA (0.44) ALDH1A1NPC1KMT2AHTR1AHTR1B
SCHEMBL3355498 0.91 GLS (0.47) MAPTALDH1A1CYP1A2KMT2AHPGD
SCHEMBL3356604 0.87 HTR1A (0.52) MAPTNPC1HTR1AHTR1BHTR1F
SCHEMBL29741245 0.86 GLS (0.44) MAPTALDH1A1NPC1CYP1A2HTR1A
SCHEMBL3388874 0.86 GLS (0.44) MAPTALDH1A1NPC1CYP1A2HTR1A
SCHEMBL7807023 0.84 ACHE (0.57) MAPTALDH1A1KMT2AMEN1ACHE
SCHEMBL30778513 0.84 MAPT (0.46) MAPTALDH1A1NPC1KMT2AHTR1A
SCHEMBL3357810 0.84 ALDH1A1 (0.40) MAPTALDH1A1NPC1KMT2AHTR1A
SCHEMBL7804080 0.83 KDM4E (0.52) MAPTALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL3353374 0.82 ALDH1A1 (0.48) MAPTALDH1A1NPC1CYP1A2KMT2A

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed