SCHEMBL3351522

SCHEMBL3351522

CN1CCN(CCc2cn(C)c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
KCNJ1 P48048 6/20 0.48
KCNH2 Q12809 5/20 0.48
CDK2 P24941 3/20 0.48
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL3355596 0.91 ALDH1A1 (0.55) HTR6KCNJ1KCNH2CDK2HTR7
SCHEMBL3355597 0.90 ALDH1A1 (0.57) HTR6KCNJ1KCNH2CDK2HTR7
SCHEMBL3353450 0.89 HTR6 (0.62) HTR6CDK2HTR7ALDH1A1LMNA
SCHEMBL3352554 0.88 KMT2A (0.51) HTR6KCNJ1CDK2ALDH1A1MEN1
SCHEMBL2075237 0.81 HRH3 (0.53) KCNJ1KCNH2CDK2HTR7ALDH1A1
SCHEMBL9400557 0.80 MAPT (0.51) CDK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3352978 0.80 CACNB4 (0.56) HTR6CDK2ALDH1A1MEN1KMT2A
SCHEMBL3356257 0.79 CACNB4 (0.58) HTR6CDK2ALDH1A1MEN1KMT2A
SCHEMBL3356418 0.79 HTR6 (0.54) HTR6CDK2HTR7LMNASMN1; SMN2
SCHEMBL3355292 0.79 HTR6 (0.59) HTR6CDK2HTR7MEN1KMT2A

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