SCHEMBL22868645

SCHEMBL22868645

c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3ccc4c(c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 7/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
TLR9 Q9NR96 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL22868647 1.00 KDM4E (0.34) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22869009 0.94 KDM4E (0.33) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22869008 0.94 KDM4E (0.33) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868659 0.91 KDM4E (0.32) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868636 0.90 LMNA (0.34) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868542 0.90 LMNA (0.34) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868644 0.89 L3MBTL1 (0.40) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868649 0.86 KDM4E (0.37) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868897 0.86 KDM4E (0.37) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22868906 0.85 KDM4E (0.32) KDM4ELMNASMN1; SMN2ALDH1A1HTT

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed