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SCHEMBL19001979

SCHEMBL19001979

c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.38
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15213910 0.96 KDM4E (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL15213850 0.95 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19001980 0.93 PDK2 (0.41) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL15213858 0.93 MEN1 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19001970 0.92 PDK2 (0.36) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL22403592 0.92 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25563393 0.92 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24647937 0.92 PDK2 (0.36) PDK2KDM4EMAPT
SCHEMBL22183389 0.92 PDK2 (0.42) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL25563339 0.91 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT

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-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed