SCHEMBL3459976

SCHEMBL3459976

[NH]c1cccc(C(Cc2cc3ccccc3o2)NS(=O)(=O)c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.46
SLC40A1 Q9NP59 3/20 0.35
GLO1 Q04760 1/20 0.35
CCR2 P41597 3/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MMP2 P08253 1/20 0.35
MMP14 P50281 1/20 0.35
PSMB5 P28074 2/20 0.34
IDO1 P14902 1/20 0.34
PSMB8 P28062 1/20 0.34
ADAMTS4 O75173 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ITGAV P06756 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL534219 0.84 PTGER2 (0.65) PTGER2
Hydrochloric Acid SCHEMBL533414 0.84 PTGER2 (0.65) PTGER2
SCHEMBL533449 0.77 PTGER2 (0.47) PTGER2MMP2MMP14PSMB5ADAMTS4
SCHEMBL534592 0.76 PTGER2 (0.44) PTGER2SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL3458739 0.76 SLC1A3 (0.37) PTGER2SLC40A1GLO1SLC1A3SLC1A2
SCHEMBL533596 0.75 IDO1 (0.52) PTGER2SLC40A1GLO1CCR2IDO1
SCHEMBL3459978 0.75 PTGER2 (0.73) PTGER2
Hydrochloric Acid SCHEMBL533404 0.67 PTGER2 (0.62) PTGER2
SCHEMBL533133 0.67 PTGER2 (0.62) PTGER2
SCHEMBL17451455 0.65 PTGER2 (0.51) PTGER2

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
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed