SCHEMBL2909201

SCHEMBL2909201

CCOC(=O)c1cc(OCCN2CCNCC2)cc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL985081 0.88 PPARG (0.56) P2RY12KDM4EALDH1A1
SCHEMBL2906146 0.88 ALDH1A1 (0.52) P2RY12KDM4EALDH1A1
SCHEMBL12814126 0.88 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL983177 0.83 P2RY12 (0.51) P2RY12
SCHEMBL981734 0.80 MAPT (0.48) P2RY12KDM4EALDH1A1
SCHEMBL985553 0.75 NPC1 (0.56) KDM4EALDH1A1
SCHEMBL15763878 0.75 KDM4E (0.55) KDM4EALDH1A1
SCHEMBL9199244 0.74 KCNH2 (0.63) KDM4EALDH1A1
SCHEMBL984214 0.72 ACKR3 (0.49) P2RY12
SCHEMBL16724449 0.71 P2RY12 (0.51) P2RY12KDM4EALDH1A1

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-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed