SCHEMBL22706372

SCHEMBL22706372

CCc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3N(c3ccccc3)c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc(-n4c(CC)nc5ccccc54)c3cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GSR P00390 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BMI1 P35226 1/20 0.31
RECQL P46063 2/20 0.31
USP2 O75604 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
SCHEMBL22707308 0.79 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL22706210 0.77 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL17031669 0.77 BMI1 (0.39) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL18456021 0.76 MEN1 (0.40) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL22706360 0.76 PGR (0.32) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL22707489 0.75 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL22705813 0.74 TSHR (0.46) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL22707750 0.74 CES2 (0.31) ALDH1A1
SCHEMBL22708133 0.73 ESR1 (0.39) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL22707689 0.73 TSHR (0.47) ALDH1A1MAPTKDM4EL3MBTL1GSR

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed