SCHEMBL2656868

SCHEMBL2656868

CCCCCC(=O)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.66
CYP2C9 P11712 1/20 0.66
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 2/20 0.60
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 1/20 0.59
ADRB2 P07550 1/20 0.59
RAB9A P51151 1/20 0.59
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL17817590 0.98 ADORA2A (0.64) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL7142997 0.98 ADORA2A (0.64) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL1854243 0.95 ADORA2A (0.71) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL15480444 0.92 ALDH1A1 (0.68) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480447 0.90 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480450 0.90 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480445 0.90 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480448 0.90 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL4112093 0.89 ADORA2A (0.70) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL1860388 0.88 L3MBTL1 (0.56) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP claimed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO claimed
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP disclosed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO disclosed