SCHEMBL28484682

SCHEMBL28484682

CC(C)(C)OC(=O)C(N)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
POLB P06746 3/20 0.34
LTA4H P09960 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MAPT P10636 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL27911015 0.80 KMT2A (0.43) KMT2ALMNAGPR119LTA4HMEN1
SCHEMBL5868225 0.74 LMNA (0.40) KMT2ALMNAALDH1A1
SCHEMBL594359 0.73 L3MBTL1 (0.45) KMT2ALMNALTA4HSLC7A5MAPT
SCHEMBL305032 0.73 L3MBTL1 (0.45) KMT2ALMNALTA4HSLC7A5MAPT
SCHEMBL30065221 0.73 L3MBTL1 (0.45) KMT2ALMNALTA4HSLC7A5MAPT
SCHEMBL5966871 0.72 RAB9A (0.43) LMNAGPR119POLBALDH1A1
Hydrochloric Acid SCHEMBL595486 0.71 ATM (0.44) KMT2ALMNALTA4HSLC7A5MAPT
Hydrochloric Acid SCHEMBL628345 0.71 ATM (0.44) KMT2ALMNALTA4HSLC7A5MAPT
Hydrochloric Acid SCHEMBL304679 0.71 ATM (0.44) KMT2ALMNALTA4HSLC7A5MAPT
SCHEMBL2177879 0.70 P2RX7 (0.37) LMNATDP1ALDH1A1

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-107446015-B Coumarin derivative and preparation method and application thereof 首都医科大学 2020-10-16 CN disclosed