SCHEMBL20968675

SCHEMBL20968675

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3ccc2n4-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.34
IL1R1 P14778 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
GSR P00390 2/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PTGER4 P35408 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL16838876 0.97 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL19507697 0.97 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL21168727 0.95 KDM4E (0.37) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL21168714 0.95 KDM4E (0.37) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL20073154 0.95 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL17253879 0.95 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL21324727 0.94 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL21324719 0.94 KDM4E (0.38) KDM4EL3MBTL1ATMHSD17B10CASP1
SCHEMBL20968669 0.93 KDM4E (0.37) KDM4EL3MBTL1ATMGAAPTGES
SCHEMBL22425480 0.93 KDM4E (0.37) KDM4EL3MBTL1ATMHSD17B10CASP1

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-20190131542-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2019-05-02 US disclosed