SCHEMBL3357597

SCHEMBL3357597

COCCn1cc(OC(=O)O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 2/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
LMNA P02545 1/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3354062 0.91 KMT2A (0.41) F2RL3KMT2AMAPTCNR1CNR2
SCHEMBL3357593 0.84 CNR1 (0.47) F2RL3KMT2AMAPTCNR1CNR2
SCHEMBL31735677 0.80 F2RL3 (0.46) F2RL3KMT2AMAPTCNR1CNR2
SCHEMBL9029137 0.78 CNR2 (0.56) KMT2AMAPTCNR1CNR2MEN1
SCHEMBL3353763 0.78 ALDH1A1 (0.52) F2RL3KMT2AMAPTMEN1LMNA
SCHEMBL3354060 0.77 CNR2 (0.47) KMT2AMAPTCNR1CNR2MEN1
SCHEMBL3351564 0.75 ALDH1A1 (0.50) KMT2ACNR1CNR2SMN1; SMN2NPSR1
SCHEMBL7362059 0.72 ELANE (0.44) KMT2AMAPTMEN1F2PLAU
SCHEMBL3352886 0.72 MAPT (0.42) F2RL3KMT2AMAPTCNR2LMNA
SCHEMBL5742091 0.72 KMT2A (0.45) KMT2AMAPTMEN1LMNASMN1; 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