SCHEMBL26582017

SCHEMBL26582017

N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccc1-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL26582015 0.97 XDH (0.45) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL26553187 0.95 ALDH1A1 (0.43) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL25774192 0.95 ALDH1A1 (0.43) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL26582014 0.94 ALDH1A1 (0.46) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL25774929 0.93 ALDH1A1 (0.41) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL26553184 0.93 ALDH1A1 (0.41) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL25774993 0.93 XDH (0.43) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL25774930 0.93 ALDH1A1 (0.43) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL26582016 0.91 ALDH1A1 (0.44) XDHALDH1A1KDM4EHTTRXFP1
SCHEMBL26581946 0.91 XDH (0.43) XDHALDH1A1KDM4EHTTRXFP1

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
WO-2023195735-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-10-12 WO disclosed