SCHEMBL21390599

SCHEMBL21390599

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc1n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
PTGER4 P35408 1/20 0.35
NPY5R Q15761 1/20 0.33
TSPO P30536 1/20 0.32
KMT2A Q03164 3/20 0.32
IL1R1 P14778 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
PTGES O14684 2/20 0.31
POLB P06746 3/20 0.31
ACHE P22303 1/20 0.31
KDR P35968 1/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 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
SCHEMBL21390583 0.91 KDM4E (0.33) L3MBTL1KDM4EATMNPY5RTSPO
SCHEMBL21390581 0.89 KDM4E (0.31) L3MBTL1KDM4EATMNPY5RTSPO
SCHEMBL21390603 0.89 PTGES (0.32) L3MBTL1KDM4EATMNPY5RMAPT
SCHEMBL15371729 0.89 L3MBTL1 (0.53) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL18504161 0.89 L3MBTL1 (0.53) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL15459648 0.89 L3MBTL1 (0.53) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL13010298 0.88 KDM4E (0.39) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL21390598 0.88 KDM4E (0.38) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL15748496 0.88 L3MBTL1 (0.51) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL13010317 0.87 KDM4E (0.38) L3MBTL1KDM4EATMKMT2AALDH1A1

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed