SCHEMBL3352848

SCHEMBL3352848

Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCD Q05655 1/20 0.47
GPR119 Q8TDV5 6/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HCAR1 Q9BXC0 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13537500 0.91 PRKCG (0.48) MAPTALDH1A1LMNAPRKCGPRKCB
SCHEMBL15409864 0.86 LMNA (0.47) MAPTALDH1A1LMNAPRKCGPRKCB
SCHEMBL3358142 0.82 MAPT (0.52) MAPTALDH1A1LMNAPRKCGPRKCB
SCHEMBL1864820 0.82 HCAR1 (0.52) MAPTALDH1A1LMNAGPR119CYP1A2
SCHEMBL4898784 0.81 SFRP1 (0.51) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3354815 0.80 MAPT (0.52) MAPTALDH1A1LMNAPRKCGPRKCB
SCHEMBL3352685 0.80 MAPT (0.47) MAPTALDH1A1LMNAPTGDR2
SCHEMBL1871066 0.79 HCAR1 (0.54) MAPTALDH1A1LMNAGPR119CYP1A2
SCHEMBL25424111 0.78 PTGDR2 (0.47) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL31434330 0.78 PTGDR2 (0.47) PRKCGPRKCBPRKCAPRKCHPRKCE

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