SCHEMBL6436196

SCHEMBL6436196

CCCOC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CPB1 P15086 2/20 0.32
CPB2 Q96IY4 2/20 0.32
LMNA P02545 3/20 0.31
SCN9A Q15858 1/20 0.31
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL6436198 1.00 KDM4E (0.33) KDM4EGLAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7739707 0.92 LMNA (0.41) ALDH1A1MAPK1SMN1; SMN2CPB1CPB2
SCHEMBL15228058 0.91 XDH (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL7781920 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7779381 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7779380 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7781922 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7780210 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7780212 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7733275 0.89 XDH (0.40) KDM4EALDH1A1SMN1; SMN2LMNATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US claimed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO claimed
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP disclosed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US disclosed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO disclosed