SCHEMBL3551072

SCHEMBL3551072

O=[N+]([O-])c1cc(Cl)ccc1CS(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
KIF18A Q8NI77 1/20 0.48
VCAM1 P19320 1/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.42
HTT P42858 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42

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
SCHEMBL31735937 1.00 MAPK1 (0.49) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL7782688 0.85 MAPK1 (0.47) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL7658698 0.83 CYP1A2 (0.55) MAPK1TSHRMAPTSMN1; SMN2FLT1
SCHEMBL357928 0.79 PDK1 (0.55) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL67686 0.79 ALDH1A1 (0.58) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL270126 0.77 ALDH1A1 (0.61) MAPK1TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL67536 0.77 MAPK1 (0.53) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL535352 0.77 MAPK1 (0.53) MAPK1TSHRKIF18AVCAM1MAPT
SCHEMBL31424902 0.77 ALDH1A1 (0.61) MAPK1TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2112011 0.77 MAPK1 (0.53) MAPK1TSHRKIF18AVCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101628888-B Inhibitors of cytosolic phospholipase a2 WYETH CORP 2012-05-23 CN disclosed
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-7605156-B2 Methods for the use of inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-10-20 US disclosed
CN-100503566-C Cytosolic phospholipase A2 inhibitors WYETH CORP (US) 2009-06-24 CN disclosed