SCHEMBL3350475

SCHEMBL3350475

CN1CCC(n2cc(C#N)c3ccc(N)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.40
XDH P47989 2/20 0.38
ASH1L Q9NR48 1/20 0.38

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
SCHEMBL28610394 0.87 XDH (0.48) KDM1AXDHASH1L
SCHEMBL2877901 0.87 XDH (0.46) KDM1AXDHASH1L
SCHEMBL3352326 0.80 ASH1L (0.40) KDM1AASH1L
SCHEMBL3356885 0.80 KDM4E (0.42) ASH1L
SCHEMBL3354823 0.80 LMNA (0.43)
SCHEMBL3356791 0.78 ASH1L (0.39) ASH1L
SCHEMBL3357845 0.76 OPRM1 (0.49) ASH1L
SCHEMBL3354345 0.76 AVPR1A (0.46) ASH1L
SCHEMBL28587433 0.76 XDH (0.54) KDM1AXDH
SCHEMBL2850331 0.74 IMPDH2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed