SCHEMBL2907048

SCHEMBL2907048

O=C(O)c1cc(OCCC2CNCCN2)cc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.43
MCL1 Q07820 8/20 0.41
LTA4H P09960 1/20 0.38

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
SCHEMBL2906146 0.75 ALDH1A1 (0.52) P2RY12MCL1LTA4H
SCHEMBL4842637 0.75 LTA4H (0.57) LTA4H
SCHEMBL4842649 0.75 LTA4H (0.57) LTA4H
SCHEMBL4975539 0.75 LTA4H (0.57) LTA4H
SCHEMBL2899930 0.75 MCL1 (0.52) MCL1
SCHEMBL1111239 0.74 P2RY12 (0.52) P2RY12MCL1
SCHEMBL2907018 0.73 MCL1 (0.50) P2RY12MCL1
SCHEMBL4271936 0.72 NPC1 (0.55) P2RY12MCL1
SCHEMBL4262285 0.72 MCL1 (0.49) P2RY12MCL1
SCHEMBL4265711 0.71 MCL1 (0.74) P2RY12MCL1

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