SCHEMBL3352610

SCHEMBL3352610

COCCn1cc(CN(C)C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.39
KMT2A Q03164 1/20 0.38
ASH1L Q9NR48 1/20 0.37
MAPT P10636 7/20 0.37
HTT P42858 4/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL3354155 0.81 CDK2 (0.47) KMT2AMAPTHTTSMN1; SMN2CYP1A2
SCHEMBL3356042 0.81 CACNB4 (0.52) KMT2AHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3352886 0.81 MAPT (0.42) F2RL3KMT2AASH1LMAPTHTT
SCHEMBL3351079 0.80 HTR6 (0.48) MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL3354509 0.80 CACNB4 (0.54) KMT2AHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3353183 0.79 CTSB (0.53) KMT2AMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL3349651 0.79 HTR6 (0.41) ASH1LPRKACAPRKACGPRKACBREN
SCHEMBL3352477 0.79 ALDH1A1 (0.52) F2RL3KMT2AASH1LMAPTHTT
SCHEMBL3354060 0.78 CNR2 (0.47) KMT2AMAPTALDH1A1
SCHEMBL3354062 0.76 KMT2A (0.41) F2RL3KMT2AASH1LMAPTHTT

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