Sugi Predict

Sugi Predict / Compounds / SCHEMBL21037313

SCHEMBL21037313

SCHEMBL21037313

c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ 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
SCHEMBL21037290 0.94 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL21923889 0.94 MEN1 (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22403708 0.93 MEN1 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22000713 0.92 KDM4E (0.34) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22000324 0.92 KDM4E (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22403312 0.92 MEN1 (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22000445 0.92 PDK2 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL22000293 0.92 PDK2 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL16559104 0.92 MEN1 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL24904685 0.91 KDM4E (0.38) KDM4EMEN1LMNAMAPTOPRK1

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