SCHEMBL15748455

SCHEMBL15748455

O=[N+]([O-])c1ccc(S(=O)(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 4/20 0.46
SNCA P37840 1/20 0.44
PARL Q9H300 1/20 0.43
ACHE P22303 3/20 0.43
CTSG P08311 1/20 0.41
CMA1 P23946 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
SCHEMBL15748456 0.89 BCHE (0.56) LMNAGAAMAPTMAPK1SMN1; SMN2
SCHEMBL15748451 0.83 SNCA (0.44) LMNAGAAMAPTMAPK1SMN1; SMN2
SCHEMBL15748450 0.83 NOX1 (0.46) LMNAGAAMAPTMAPK1SMN1; SMN2
SCHEMBL15748457 0.82 CA1 (0.43) BCHEACHE
SCHEMBL15748452 0.82 BCHE (0.54) LMNAGAAMAPTMAPK1SMN1; SMN2
SCHEMBL5915315 0.82 MEN1 (0.48) MAPTSMN1; SMN2BCHEACHECTSG
SCHEMBL29381701 0.71 HDAC3 (0.56) LMNAMAPTMAPK1SMN1; SMN2BCHE
SCHEMBL27083986 0.71 HDAC3 (0.56) LMNAMAPTMAPK1SMN1; SMN2BCHE
SCHEMBL22481364 0.70 P2RX4 (0.62) LMNAGAAMAPTBCHECTSG
SCHEMBL8870652 0.70 MAPT (0.47) LMNAGAAMAPTMAPK1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014080378-A1 PHENOTHIAZINE DERIVATIVES AND THEIR USE AGAINST TUBERCULOSIS UNIVERSITY OF CAPE TOWN (ZA) 2014-05-30 WO disclosed