SCHEMBL3354646

SCHEMBL3354646

CNC(=O)Cn1ccc2ccc(N)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.51
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
POLB P06746 2/20 0.48
APOBEC3A P31941 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 3/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
USP2 O75604 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
SCHEMBL31444669 0.86 KMO (0.48) NTSR1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL31444770 0.85 KMO (0.47) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13139567 0.83 NTSR1 (0.45) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3355234 0.82 KDM4E (0.48) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23631670 0.82 KDM4E (0.48) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2869168 0.81 KMT2A (0.60) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3353214 0.81 LMNA (0.44) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23631641 0.81 KDM4E (0.55) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13537609 0.80 KDM4E (0.46) NTSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3354522 0.79 GRIN2B (0.45) NTSR1CYP2C9

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 2 patents. 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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed