SCHEMBL3352870

SCHEMBL3352870

COCCn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
MAPT P10636 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KMT2A Q03164 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CDC7 O00311 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8265180 0.92 HTR7 (0.56) HTR7MAPTKMT2AMTNR1AMTNR1B
SCHEMBL30672858 0.89 PLG (0.46) HTR7KMT2AF2RL3
SCHEMBL2124040 0.89 PLG (0.46) HTR7KMT2AF2RL3
SCHEMBL27732822 0.84 HTR7 (0.54) HTR7MAPTKMT2AMTNR1AMTNR1B
SCHEMBL15712293 0.84 HTR7 (0.62) HTR7MAPTKMT2AMTNR1AMTNR1B
SCHEMBL17023236 0.82 HTR7 (0.59) HTR7MAPTIRAK4MTNR1AMTNR1B
SCHEMBL2872712 0.82 HTR7 (0.57) HTR7MAPTIRAK4KMT2AMTNR1A
SCHEMBL4511606 0.81 HTR7 (0.51) HTR7MAPTMTNR1AMTNR1BCDC7
SCHEMBL1122380 0.81 HTR7 (0.58) HTR7MAPTIRAK4MTNR1AMTNR1B
SCHEMBL3312100 0.81 HTR7 (0.57) HTR7MAPTKMT2AMTNR1AMTNR1B

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