SCHEMBL2835443

SCHEMBL2835443

O=C(O)N1CCN(Cc2cnc3sc(-c4ccccc4[N+](=O)[O-])nc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
FAAH O00519 7/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
TNF P01375 1/20 0.39
GAA P10253 1/20 0.39
NOD2 Q9HC29 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2835437 1.00 S1PR1 (0.46) S1PR1S1PR3FAAHBLML3MBTL1
SCHEMBL2482859 0.89 S1PR1 (0.44) S1PR1S1PR3BLML3MBTL1HTT
SCHEMBL219656 0.87 MET (0.44) S1PR1S1PR3FAAH
SCHEMBL1254602 0.85 S1PR1 (0.49) S1PR1S1PR3FAAH
SCHEMBL14876625 0.82 S1PR1 (0.46) S1PR1S1PR3GAAKMT2A
SCHEMBL2551204 0.82 S1PR1 (0.46) S1PR1S1PR3GAAKMT2A
SCHEMBL2636570 0.80 MGAM (0.42) S1PR1S1PR3LMNAALDH1A1MAPT
SCHEMBL12342538 0.78 MGAM (0.45) S1PR1S1PR3LMNAALDH1A1MAPT
SCHEMBL221258 0.78 MGAM (0.42) S1PR1S1PR3FAAHLMNAALDH1A1
SCHEMBL2636936 0.78 MGAM (0.42) S1PR1S1PR3LMNAALDH1A1MAPT

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-2170905-A2 SIRTUIN MODULATING THIAZOLOPYRIDINE COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156869-A2 SIRTUIN MODULATING THIAZOLOPYRIDINE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed