SCHEMBL28698652

SCHEMBL28698652

CC(=O)NNOc1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HDAC6 Q9UBN7 2/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL7364217 0.77 L3MBTL1 (0.62) MAPTLMNAL3MBTL1HDAC6METAP2
SCHEMBL250301 0.76 LMNA (0.65) MAPTLMNAL3MBTL1HDAC6METAP2
SCHEMBL28459061 0.76 LMNA (0.69) MAPTLMNAL3MBTL1HDAC6METAP2
Acetic Acid SCHEMBL8159401 0.75 PDE10A (0.60) MAPTLMNAL3MBTL1HDAC6METAP2
Hydrochloric Acid SCHEMBL2563239 0.75 LMNA (0.63) MAPTLMNAL3MBTL1HDAC6METAP2
Butanedione SCHEMBL5530736 0.75 LMNA (0.63) MAPTLMNAL3MBTL1HDAC6METAP2
SCHEMBL3453971 0.74 KDM4E (0.64) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL8871046 0.74 MAPT (0.67) MAPTLMNAL3MBTL1HDAC6METAP2
SCHEMBL10385035 0.73 LMNA (0.72) MAPTLMNAL3MBTL1HDAC6METAP2
SCHEMBL2839930 0.73 LMNA (0.60) MAPTLMNAL3MBTL1HDAC6METAP2

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-110156762-B Aggregation-induced emission material containing quinoline and coumarin functional groups and preparation method thereof 山西大学 2021-12-31 CN disclosed