SCHEMBL21390583

SCHEMBL21390583

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
NPY5R Q15761 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSPO P30536 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
SCHEMBL21390599 0.91 L3MBTL1 (0.42) KDM4EL3MBTL1ATMNPY5RALDH1A1
SCHEMBL15459661 0.90 KDM4E (0.40) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL21390371 0.88 KDM4E (0.45) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL21390614 0.87 ATM (0.39) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL21390581 0.85 KDM4E (0.31) KDM4EL3MBTL1ATMNPY5RTSPO
SCHEMBL21390603 0.85 PTGES (0.32) KDM4EL3MBTL1ATMNPY5RMAPT
SCHEMBL13010298 0.84 KDM4E (0.39) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL15449731 0.84 KDM4E (0.42) KDM4EL3MBTL1ATMNPY5RALDH1A1
SCHEMBL15371760 0.84 L3MBTL1 (0.49) KDM4EL3MBTL1ATMRAC2RAC3
SCHEMBL12110644 0.84 KDM4E (0.42) KDM4EL3MBTL1ATMEDNRBEDNRA

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