SCHEMBL3353183

SCHEMBL3353183

COCCn1cc(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.53
KCNJ1 P48048 2/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44

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
SCHEMBL3356042 0.92 CACNB4 (0.52) CTSBALDH1A1LMNASMN1; SMN2CACNB4
SCHEMBL3354509 0.91 CACNB4 (0.54) CTSBALDH1A1LMNASMN1; SMN2CACNB4
SCHEMBL3351079 0.91 HTR6 (0.48) CTSBMAPTALDH1A1SMN1; SMN2CACNB4
SCHEMBL3357652 0.85 CTSB (0.59) CTSBKCNJ1MAPTALDH1A1LMNA
SCHEMBL3353615 0.81 HRH3 (0.41) MAPTKMT2AMTNR1BCNR1CNR2
SCHEMBL13537524 0.81 HRH3 (0.41) ALDH1A1KMT2AMTNR1BPOLBCNR1
SCHEMBL3357604 0.80 CTSB (0.56) CTSBKCNJ1MAPTALDH1A1LMNA
SCHEMBL3352610 0.79 F2RL3 (0.39) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3352715 0.79 HTR7 (0.59) CTSBALDH1A1LMNACACNB4CACNA1A
SCHEMBL3358883 0.78 CTSB (0.59) CTSBKCNJ1MAPTALDH1A1LMNA

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