SCHEMBL20940939

SCHEMBL20940939

c1ccc(N(c2ccccc2)c2cc3c(cc2N(c2ccccc2)c2ccccc2)Oc2c(ccc4c2-c2ccccc2C42c4ccccc4-c4ccccc42)O3)cc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
PRMT1 Q99873 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL20942099 0.91
SCHEMBL20940896 0.90
SCHEMBL20940914 0.88
SCHEMBL20941317 0.88 KDM4E (0.30) MAPTCYP2C19TDP1CYP3A4ALDH1A1
SCHEMBL20940936 0.88
SCHEMBL20940925 0.87 PDK2 (0.30)
SCHEMBL20941320 0.87 PDK2 (0.32)
SCHEMBL20941078 0.86
SCHEMBL20941001 0.86
SCHEMBL20941939 0.86

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-2019078443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed