SCHEMBL3352554

SCHEMBL3352554

Cn1cc(CCN2CCOCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
CTSB P07858 1/20 0.49
PKM P14618 3/20 0.47
MAPT P10636 2/20 0.47
CDK2 P24941 2/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNJ1 P48048 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HTR6 P50406 1/20 0.45
CYP2D6 P10635 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
SCHEMBL3358883 0.89 CTSB (0.59) KMT2AMEN1POLBCTSBPKM
SCHEMBL3355596 0.89 ALDH1A1 (0.55) KMT2AMEN1PKMMAPTCDK2
SCHEMBL3355597 0.88 ALDH1A1 (0.57) KMT2AMEN1PKMCDK2ALDH1A1
SCHEMBL3351522 0.88 HTR6 (0.51) KMT2AMEN1CDK2ALDH1A1LMNA
SCHEMBL3357652 0.80 CTSB (0.59) KMT2AMEN1POLBCTSBPKM
SCHEMBL2075237 0.80 HRH3 (0.53) KMT2AMEN1PKMMAPTCDK2
SCHEMBL3354205 0.79 LMNA (0.46) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9400557 0.78 MAPT (0.51) KMT2AMEN1POLBMAPTCDK2
SCHEMBL3352978 0.78 CACNB4 (0.56) KMT2AMEN1CTSBPKMMAPT
SCHEMBL13537253 0.78 HRH3 (0.48) CTSBMAPTALDH1A1LMNASMN1; SMN2

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