SCHEMBL29655646

SCHEMBL29655646

N#Cc1cc2c3cc(C#N)c(C#N)cc3c3nc4ccccc4nc3c2cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
DYRK1A Q13627 1/20 0.45
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PSMB8 P28062 1/20 0.40
NQO2 P16083 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 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
SCHEMBL21298089 0.94 ALDH1A1 (0.46) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL21298095 0.86 ALDH1A1 (0.43) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL21298087 0.85 ALDH1A1 (0.53) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL21297827 0.85 DYRK1A (0.45) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL21298034 0.82 ALDH1A1 (0.43) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL31450774 0.80 ALDH1A1 (0.49) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL31450779 0.80 ALDH1A1 (0.49) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL26749742 0.80 ALDH1A1 (0.49) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL21298079 0.79 CA1 (0.41) ALDH1A1LMNATHRBKDM4EGAA
SCHEMBL8477595 0.79 ALDH1A1 (0.55) ALDH1A1LMNATHRBKDM4EGAA

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-2022097626-A1 COMPOUND, LIGHT-EMITTING MATERIAL, DELAYED FLUORESCENCE MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT 株式会社Kyulux 2022-05-12 WO disclosed