SCHEMBL13345952

SCHEMBL13345952

O=[N+]([O-])c1ccccc1-c1nc2cc(CI)cnc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
PTGES O14684 1/20 0.37
APP P05067 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
EIF4E P06730 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
DDX3X O00571 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL2636570 0.88 MGAM (0.42) MGAMGAASIMGAM2S1PR1
SCHEMBL2636936 0.88 MGAM (0.42) MGAMGAASIMGAM2S1PR1
SCHEMBL12167548 0.88 MGAM (0.42) MGAMGAASIMGAM2S1PR1
SCHEMBL221258 0.88 MGAM (0.42) MGAMGAASIMGAM2S1PR1
SCHEMBL12342536 0.88 MGAM (0.42) MGAMGAASIMGAM2S1PR1
SCHEMBL12342538 0.88 MGAM (0.45) MGAMGAASIMGAM2S1PR1
SCHEMBL2482859 0.83 S1PR1 (0.44) MGAMGAASIMGAM2S1PR1
SCHEMBL221374 0.82 MGAM (0.45) MGAMGAASIMGAM2PTGES
SCHEMBL2835437 0.78 S1PR1 (0.46) GAAS1PR1S1PR3MAPTLMNA
SCHEMBL2551204 0.78 S1PR1 (0.46) MGAMGAASIMGAM2S1PR1

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
WO-2010071853-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-06-24 WO disclosed
WO-2008156869-A2 SIRTUIN MODULATING THIAZOLOPYRIDINE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed