SCHEMBL3351564

SCHEMBL3351564

COCCn1cc(C(=O)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR1 P21554 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KRAS P01116 3/20 0.45
HRH4 Q9H3N8 2/20 0.45
KMT2A Q03164 1/20 0.43
TNF P01375 2/20 0.43
TNFSF11 O14788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3354160 0.92 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3357593 0.84 CNR1 (0.47) ALDH1A1CNR1KMT2ACNR2
SCHEMBL3350340 0.83 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL13537370 0.81 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3357817 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL948744 0.76 TNFSF11 (0.55) ALDH1A1KDM4ETNFTNFSF11
SCHEMBL31735677 0.76 F2RL3 (0.46) HPGDHSD17B10CNR1L3MBTL1KMT2A
SCHEMBL3357597 0.75 F2RL3 (0.44) ALDH1A1CNR1KMT2ANPSR1CNR2
SCHEMBL13537301 0.75 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL3354060 0.75 CNR2 (0.47) ALDH1A1CNR1KMT2ACNR2

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