SCHEMBL20828573

SCHEMBL20828573

CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc4oc5ccccc5c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 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
SCHEMBL20828558 0.95 HSP90AA1 (0.31) MAPT
SCHEMBL20828702 0.95 MAPT (0.31) MEN1THRBRECQLBLMKMT2A
SCHEMBL20828567 0.93 MAPT (0.31) MAPT
SCHEMBL20828709 0.93 MAPT (0.32) MEN1THRBRECQLBLMKMT2A
SCHEMBL20828602 0.93 MAPT (0.32) MEN1THRBRECQLBLMKMT2A
SCHEMBL20828601 0.93 MAPT (0.32) MEN1THRBRECQLBLMKMT2A
SCHEMBL20828594 0.92
SCHEMBL20828572 0.90 ALK (0.32) MEN1THRBRECQLBLMKMT2A
SCHEMBL21019562 0.90 MEN1 (0.33) MEN1THRBRECQLBLMKMT2A
SCHEMBL26433113 0.90 MEN1 (0.31) MEN1THRBRECQLBLMKMT2A

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-2019054599-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME (주)피엔에이치테크 2019-03-21 WO disclosed