SCHEMBL2855362

SCHEMBL2855362

O=C(O)c1cc(N(Cc2ccc(CCc3ccc(Cl)cc3)cc2)C(=O)CCc2ccccc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 16/20 0.61
LTB4R2 Q9NPC1 2/20 0.51
MLYCD O95822 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL13711655 0.96 STAT3 (0.67) STAT3LTB4R2
SCHEMBL2857060 0.93 STAT3 (0.57) STAT3LTB4R2
SCHEMBL2855361 0.91 STAT3 (0.56) STAT3LTB4R2
Meglumine SCHEMBL4454874 0.80 STAT3 (0.46) STAT3LTB4R2
SCHEMBL2861429 0.78 STAT3 (0.63) STAT3LTB4R2MEN1RECQLKMT2A
SCHEMBL13711792 0.78 STAT3 (0.67) STAT3LTB4R2
SCHEMBL13711779 0.77 STAT3 (0.58) STAT3LTB4R2
SCHEMBL2470433 0.77 STAT3 (0.59) STAT3
SCHEMBL17077012 0.76 STAT3 (1.00) STAT3
SCHEMBL2472681 0.76 STAT3 (0.64) STAT3LTB4R2

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-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed