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SCHEMBL21037255

SCHEMBL21037255

CC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL21559460 0.99 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25563017 0.98 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21239317 0.97 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL18469201 0.97 PDK2 (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21924571 0.97 KDM4E (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21037259 0.96 PDK2 (0.31) PDK2
SCHEMBL22403518 0.96 PDK2 (0.32) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24646510 0.95 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21923888 0.95 KDM4E (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL17816696 0.95 MEN1 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 — — WO disclosed