SCHEMBL21414293

SCHEMBL21414293

N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
PGR P06401 1/20 0.38
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDR P35968 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
POLB P06746 2/20 0.32
HTT P42858 3/20 0.32
HSD17B10 Q99714 2/20 0.32
G6PD P11413 1/20 0.32
KMT2A Q03164 4/20 0.32
IL1R1 P14778 1/20 0.32
PTGER4 P35408 1/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL24871628 0.92 KDM4E (0.46) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL21546486 0.92 KDM4E (0.42) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL21414303 0.91 KDM4E (0.41) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL20617079 0.90 RXRA (0.40) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL25903081 0.87 KDM4E (0.38) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL21414302 0.86 EGFR (0.41) KDM4EL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL22158391 0.86 KDM4E (0.44) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL25902944 0.86 KDM4E (0.39) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL21414202 0.86 KDM4E (0.42) KDM4EL3MBTL1ATMPGRALDH1A1
SCHEMBL19908893 0.85 KDM4E (0.43) KDM4EL3MBTL1ATMALDH1A1LMNA

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
EP-3385264-B1 ORGANIC MOLECULES, IN PARTICULAR FOR THE APPLICATION IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-10-02 EP disclosed