SCHEMBL28049583

SCHEMBL28049583

[CH2]c1ccc2occcc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 3/20 0.39
BLM P54132 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 3/20 0.39
PKM P14618 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
CASP7 P55210 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL2459563 0.88 KDM4E (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16029993 0.74 POLB (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2095737 0.73 KDM4E (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11070786 0.73 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2008325 0.71 TAAR1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3886495 0.71 TP53 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28754631 0.71 MEN1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL448220 0.71 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL26259566 0.70 POLB (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2094790 0.70 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A

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
CN-103987706-B Pyridione derivatives and the medicine containing Pyridione derivatives 科研制药株式会社 2016-06-29 CN disclosed
CN-105392482-A Composition for maintaining platelet function KAKEN PHARMA CO LTD 2016-03-09 CN disclosed