SCHEMBL16360990

SCHEMBL16360990

O=C(C(=S)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1ccccc1-2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.32

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
SCHEMBL17928348 0.88 PDK2 (0.41) PDK2
SCHEMBL12187061 0.88 PDK2 (0.41) PDK2
SCHEMBL15040934 0.82 PDK2 (0.42) PDK2
SCHEMBL13351594 0.82 PDK2 (0.42) PDK2
SCHEMBL16372107 0.78 KMT2A (0.35)
SCHEMBL12187078 0.76
SCHEMBL808148 0.76 PDK2 (0.39) PDK2
SCHEMBL19257509 0.75 PDK2 (0.40) PDK2
SCHEMBL20734798 0.75 SMN1; SMN2 (0.41) PDK2
SCHEMBL13523422 0.75

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
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed