SCHEMBL20933581

SCHEMBL20933581

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(c4ccccc4)c4ccccc4)O5)cc3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL20933577 0.99 KDM4E (0.31) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20933589 0.99 KDM4E (0.31) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20933579 0.97 GPR55 (0.31) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20933860 0.97 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20933790 0.95
SCHEMBL20933580 0.95
SCHEMBL20934138 0.95 GPR55 (0.31) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20933592 0.94
SCHEMBL20933166 0.94 MAPT (0.36) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL20933583 0.93 KDM4E (0.36) KDM4EMAPTSMN1; SMN2

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-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed