SCHEMBL3357593

SCHEMBL3357593

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
F2RL3 Q96RI0 2/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
CDK2 P24941 1/20 0.42

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
SCHEMBL3354060 0.91 CNR2 (0.47) CNR1CNR2KMT2AMAPTALDH1A1
SCHEMBL3351564 0.84 ALDH1A1 (0.50) CNR1CNR2KMT2AALDH1A1
SCHEMBL3357597 0.84 F2RL3 (0.44) CNR1CNR2F2RL3KMT2AMAPT
SCHEMBL31323954 0.84 ALDH1A1 (0.50) KMT2AMAPTALDH1A1MEN1CDK2
SCHEMBL31735677 0.81 F2RL3 (0.46) CNR1CNR2F2RL3KMT2AMAPT
SCHEMBL2817707 0.80 ALDH1A1 (0.50) CNR1CNR2KMT2AMAPTALDH1A1
SCHEMBL3353763 0.80 ALDH1A1 (0.52) F2RL3KMT2AMAPTALDH1A1MEN1
SCHEMBL5327849 0.79 CDK2 (0.56) KMT2AMAPTALDH1A1MEN1CDK2
SCHEMBL13537206 0.78 CNR2 (0.52) CNR1CNR2KMT2AMAPTALDH1A1
SCHEMBL3354062 0.77 KMT2A (0.41) CNR1CNR2F2RL3KMT2AMAPT

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