SCHEMBL2908039

SCHEMBL2908039

COCCN(C)CCOc1cc(C(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.45
P2RY12 Q9H244 10/20 0.44
SCN9A Q15858 1/20 0.43
FDPS P14324 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1111239 0.88 P2RY12 (0.52) MCL1P2RY12
SCHEMBL2906647 0.80 KDM4E (0.49) MCL1P2RY12SCN9AKDM4EALDH1A1
SCHEMBL2899930 0.79 MCL1 (0.52) MCL1KDM4EALDH1A1
SCHEMBL4271936 0.79 NPC1 (0.55) MCL1P2RY12KDM4EALDH1A1
SCHEMBL4262285 0.78 MCL1 (0.49) MCL1P2RY12
SCHEMBL1111184 0.77 MCL1 (0.64) MCL1SCN9AKDM4EALDH1A1
SCHEMBL984203 0.76 MAPT (0.46) KDM4EALDH1A1
SCHEMBL4259792 0.75 RARB (0.53) MCL1P2RY12
SCHEMBL4265711 0.75 MCL1 (0.74) MCL1P2RY12
SCHEMBL15416881 0.72 LSS (0.63) FDPS

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