SCHEMBL2929681

SCHEMBL2929681

C[C@@H]1CN(CCOc2cc(C(=O)O)nc(-c3ccccc3)c2)C[C@H](C)O1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
HTT P42858 3/20 0.56
POLB P06746 2/20 0.56
BLM P54132 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 7/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL2929687 1.00 KDM4E (0.56) KDM4EHTTPOLBBLMMEN1
SCHEMBL985553 0.82 NPC1 (0.56) KDM4EPOLBALDH1A1
SCHEMBL2906146 0.80 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL985052 0.77 KDM4E (0.44) KDM4EHTTPOLBBLMMEN1
SCHEMBL4262285 0.76 MCL1 (0.49)
SCHEMBL984214 0.76 ACKR3 (0.49)
SCHEMBL1111239 0.76 P2RY12 (0.52)
SCHEMBL14204986 0.75 KDM4E (0.61) KDM4EHTTPOLBBLMMEN1
SCHEMBL2899930 0.75 MCL1 (0.52) KDM4EALDH1A1
SCHEMBL4271936 0.74 NPC1 (0.55) KDM4EALDH1A1LMNA

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