SCHEMBL28709795

SCHEMBL28709795

Nc1ccc(-c2ccc(C3=CC=CC3=O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
PIK3CD O00329 4/20 0.44
LTA4H P09960 1/20 0.41
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PARP1 P09874 1/20 0.34
DHODH Q02127 1/20 0.34
PIK3CG P48736 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL28936760 0.78 TDP1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL28711805 0.78 TDP1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30337416 0.75 PIK3CD (0.70) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL29740321 0.73 PIK3CD (0.73) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL1257460 0.73 PIK3CD (0.73) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL968875 0.70 PIK3CD (0.57) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL28717318 0.70 PLAU (0.42) KDM4EALDH1A1MAPT
SCHEMBL1256963 0.69 PIK3CD (0.61) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL30502351 0.69 PIK3CD (0.61) MKNK1MKNK2PIK3CDLTA4HMAP4K4
SCHEMBL28352043 0.69 MGAM (0.44) KDM4EALDH1A1GAASMN1; SMN2MAPT

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
CN-114213657-A Intrinsic black polyimide and preparation method and application thereof 湖南工业大学 2022-03-22 CN disclosed