SCHEMBL20198231

SCHEMBL20198231

CP(Oc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc(Sc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.33
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 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
SCHEMBL20198312 0.79 MAOA (0.44) PDK2MAOAMAOB
SCHEMBL9905646 0.76 MAOA (0.50) PDK2MAOAMAOB
SCHEMBL16882977 0.75 PDE4D (0.43) PDK2
SCHEMBL15498442 0.71 MAOA (0.55) MAOAMAOB
SCHEMBL16882975 0.70 MEN1 (0.38) PDK2MAOAMAOB
SCHEMBL25052760 0.68 KDM4E (0.41) PDK2
SCHEMBL16882976 0.67 ESR1 (0.46) PDK2MAOAMAOB
SCHEMBL19773709 0.67 KDM4E (0.40) PDK2
SCHEMBL28991408 0.67 MAOA (0.42) PDK2MAOAMAOB
Phosphine SCHEMBL23633149 0.66 PDK2 (0.53) PDK2MAOAMAOB

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-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed
Send feedback