SCHEMBL3356418

SCHEMBL3356418

CN1CCN(Cc2cn(C)c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
HTR7 P34969 1/20 0.48
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
CDK2 P24941 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL3357630 0.90 ALDH1A1 (0.53) HTR6HTR7LMNACDK2SMN1; SMN2
SCHEMBL3353450 0.90 HTR6 (0.62) HTR6HTR7CDK1CCNB1LMNA
SCHEMBL3357652 0.88 CTSB (0.59) HTR6LMNASMN1; SMN2CTSB
SCHEMBL3352715 0.84 HTR7 (0.59) HTR6HTR7CDK1CCNB1LMNA
SCHEMBL3351079 0.83 HTR6 (0.48) HTR6HTR7CDK1CCNB1SMN1; SMN2
SCHEMBL3352978 0.81 CACNB4 (0.56) HTR6LMNACDK2SMN1; SMN2CTSB
SCHEMBL2075237 0.80 HRH3 (0.53) HTR7LMNACDK2SMN1; SMN2
SCHEMBL3356257 0.80 CACNB4 (0.58) HTR6LMNACDK2SMN1; SMN2CTSB
SCHEMBL3351522 0.79 HTR6 (0.51) HTR6HTR7LMNACDK2SMN1; SMN2
SCHEMBL3358883 0.78 CTSB (0.59) HTR6LMNASMN1; SMN2CTSB

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