SCHEMBL21390598

SCHEMBL21390598

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
PTGER4 P35408 1/20 0.33
TSPO P30536 1/20 0.32
PTGES O14684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDR P35968 1/20 0.30
NPY5R Q15761 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DNM1 Q05193 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
SCHEMBL21390582 0.96 TSPO (0.34) KDM4EL3MBTL1TSPOPTGESMEN1
SCHEMBL21390625 0.95 KDM4E (0.31) KDM4EL3MBTL1ATMTSPOPTGES
SCHEMBL21390581 0.95 KDM4E (0.31) KDM4EL3MBTL1ATMTSPOPTGES
SCHEMBL14405609 0.92 PTGES (0.32) KDM4EL3MBTL1ATMPTGER4PTGES
SCHEMBL21390589 0.91 KDM4E (0.32) KDM4EL3MBTL1ATM
SCHEMBL14212374 0.90 L3MBTL1 (0.46) KDM4EL3MBTL1ATMPTGER4TSPO
SCHEMBL15748607 0.90 L3MBTL1 (0.46) KDM4EL3MBTL1ATMPTGER4TSPO
SCHEMBL11998229 0.90 L3MBTL1 (0.46) KDM4EL3MBTL1ATMPTGER4TSPO
SCHEMBL15371712 0.90 L3MBTL1 (0.46) KDM4EL3MBTL1ATMPTGER4TSPO
SCHEMBL11998234 0.90 L3MBTL1 (0.46) KDM4EL3MBTL1ATMPTGER4TSPO

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