SCHEMBL3354062

SCHEMBL3354062

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
F2RL3 Q96RI0 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ASH1L Q9NR48 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3357597 0.91 F2RL3 (0.44) KMT2AF2RL3IRAK4CNR1CNR2
SCHEMBL3354060 0.84 CNR2 (0.47) KMT2ACNR1CNR2ALDH1A1MAPT
SCHEMBL3352886 0.80 MAPT (0.42) KMT2AF2RL3ASH1LCNR2ALDH1A1
SCHEMBL9029137 0.78 CNR2 (0.56) KMT2ACNR1CNR2ALDH1A1MAPT
SCHEMBL3352477 0.78 ALDH1A1 (0.52) KMT2AF2RL3ASH1LALDH1A1HTT
SCHEMBL3357593 0.77 CNR1 (0.47) KMT2AF2RL3CNR1CNR2ALDH1A1
SCHEMBL3352610 0.76 F2RL3 (0.39) KMT2AF2RL3ASH1LALDH1A1HTT
SCHEMBL3354160 0.75 ALDH1A1 (0.50) KMT2ACNR1CNR2ALDH1A1GAA
SCHEMBL3356042 0.73 CACNB4 (0.52) KMT2AALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3351079 0.73 HTR6 (0.48) ALDH1A1HTTMAPTSMN1; 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