SCHEMBL1670737

SCHEMBL1670737

O=C(OCc1ccc(C(F)(F)F)c(Cl)c1)ON1CCN(CC[S+]([O-])c2ccc3nn[nH]c3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.34
PHGDH O43175 1/20 0.31

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
SCHEMBL1670824 0.92 GPR183 (0.32)
SCHEMBL1670770 0.90 PDE5A (0.33)
SCHEMBL11899289 0.89 ENPP2 (0.36) MGLLPHGDH
SCHEMBL11899288 0.89 ENPP2 (0.36) MGLLPHGDH
SCHEMBL1671516 0.88 ENPP2 (0.35) MGLL
SCHEMBL17888827 0.86 ENPP2 (0.40)
SCHEMBL1672869 0.86 ENPP2 (0.38)
SCHEMBL1670653 0.85
SCHEMBL11962602 0.83 ENPP2 (0.35) MGLL
SCHEMBL11899085 0.81 ENPP2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488504-B1 SULFOXIDE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2016-07-06 EP disclosed
EP-2488504-A1 SULFOXIDE DERIVATIVES FOR TREATING TUMORS Merck Patent GmbH (DE) 2012-08-22 EP disclosed
WO-2011044978-A1 SULFOXIDE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2011-04-21 WO disclosed