SCHEMBL8003247

SCHEMBL8003247

O=NC(=O)C1=CCc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.39
MIF P14174 5/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S100A4 P26447 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
SCHEMBL3039377 0.81 MAOA (0.45) CES1MAOAALDH1A1CYP1A2CYP2C19
SCHEMBL2320565 0.79 ALDH1A1 (0.47) CES1MAOAALDH1A1CYP1A2CYP2C19
SCHEMBL1160392 0.79 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2A
Water SCHEMBL1033325 0.78 KDM4E (0.32) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1935650 0.77 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL10440547 0.77 ALDH1A1 (0.42) CES1MAOAALDH1A1CYP1A2CYP2C19
SCHEMBL8154115 0.73 MAPT (0.43) CES1MAOAALDH1A1MAPTTDP1
SCHEMBL4527055 0.73 HTR6 (0.35) CES1MAOAALDH1A1CYP1A2CYP2C19
SCHEMBL11813906 0.72 HTR6 (0.37) CES1MAOAALDH1A1CYP1A2CYP2C19
SCHEMBL335207 0.72 SRD5A2 (0.43) CES1MAOAALDH1A1MAOBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043978-A1 PHOSPHOLIPID-COATED MICROCRYSTALS FOR THE SUSTAINED RELEASE OF PHARMACOLOGICALLY ACTIVE COMPOUNDS AND METHODS OF THEIR MANUFACTURE AND USE IDEXX LABORATORIES, INC. (US) 2000-10-18 EP disclosed
WO-2000027369-A1 PHOSPHOLIPID-COATED MICROCRYSTALS FOR THE SUSTAINED RELEASE OF PHARMACOLOGICALLY ACTIVE COMPOUNDS AND METHODS OF THEIR MANUFACTURE AND USE IDEXX LABORATORIES, INC. (US) 2000-05-18 WO disclosed