SCHEMBL5582199

SCHEMBL5582199

c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3N4)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNA3 P22001 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT3 P36888 2/20 0.31
APP P05067 1/20 0.31
PGR P06401 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
SCHEMBL5582092 0.90 LMNA (0.51) LMNACHRM2ADORA3KCNH2KDM4E
SCHEMBL5581522 0.88 LMNA (0.50) LMNACHRM2ADORA3KCNH2KDM4E
SCHEMBL28164935 0.83 LMNA (0.45) LMNACHRM2ADORA3KCNH2KDM4E
SCHEMBL22719989 0.82 LMNA (0.42) LMNACHRM2ADORA3KCNH2MAPT
SCHEMBL28310002 0.80 LMNA (0.49) LMNACHRM2ADORA3KCNH2KDM4E
SCHEMBL17790274 0.78 KDM4E (0.38) LMNAKCNA3KDM4EALDH1A1CYP1A2
SCHEMBL26574410 0.76 MEN1 (0.49) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL23458410 0.75 MEN1 (0.38) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL19735554 0.74 MEN1 (0.37) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12978468 0.74 MEN1 (0.50) LMNAKDM4EALDH1A1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840120-B1 N-Heterocyclic compounds and their use in electronic, optoelectronic and electroluminiscent components NOVALED AG (DE) 2013-04-24 EP disclosed
EP-1840120-A1 N-Heterocyclic compounds and their use in electronic, optoelectronic and electroluminiscent components Novaled AG (DE) 2007-10-03 EP disclosed