SCHEMBL22868896

SCHEMBL22868896

CC1(C)c2ccccc2-c2c1ccc1c(-c3nc(-c4ccccc4)c4c(ccc5ccccc54)n3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 10/20 0.34
KDM4E B2RXH2 6/20 0.34
HPGD P15428 4/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ATM Q13315 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL22868908 0.93 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868929 0.92 ALDH1A1 (0.34) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868567 0.89 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868745 0.88 ALDH1A1 (0.36) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22869006 0.87 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868898 0.87 MEN1 (0.43) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL22868848 0.86 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868899 0.85 ALDH1A1 (0.32) MAPTSMN1; SMN2LMNARECQLALDH1A1
SCHEMBL22868865 0.84 ALDH1A1 (0.36) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22868921 0.84 ALDH1A1 (0.36) MAPTNPC1RAB9ASMN1; SMN2LMNA

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