SCHEMBL4755698

SCHEMBL4755698

O=[N+]([O-])c1ccccc1-c1csc([AsH2])n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KDM1A O60341 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL220611 0.83 MGAM (0.55) PDE3BPDE3AHDAC3HDAC4HDAC1
SCHEMBL3026474 0.83 MGAM (0.55) PDE3BPDE3AHDAC3HDAC4HDAC1
Bromide SCHEMBL8357485 0.81 MAPT (0.55) PDE3BPDE3AHDAC3HDAC4HDAC1
SCHEMBL6367549 0.81 HDAC3 (0.49) PDE3BPDE3AHDAC3HDAC4HDAC1
SCHEMBL1206979 0.79 EIF4E (0.65) EIF4ENPC1
SCHEMBL1915932 0.78 KDM1A (0.60) PDE3BPDE3AHDAC3HDAC4HDAC1
SCHEMBL30294203 0.78 HDAC3 (0.58) PDE3BPDE3AHDAC3HDAC4HDAC1
SCHEMBL3026473 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27182758 0.76 KDM1A (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10806812 0.76 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed