SCHEMBL28500583

SCHEMBL28500583

CNc1cccc2c1CC=C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL30566669 0.81 MAPT (0.31) MAPTTDP1L3MBTL1KDM4EUSP2
SCHEMBL4854314 0.72 SLC6A2 (0.37) ALDH1A1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL7185336 0.71 SLC6A2 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL276578 0.70 SLC6A2 (0.35) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL5951004 0.69 GABRA1 (0.41) TDP1HPGDSLC6A2HTR2ASLC6A4
SCHEMBL8164926 0.69 SLC6A2 (0.33) HPGDSLC6A2HTR2ASLC6A4HRH1
SCHEMBL20408080 0.69
SCHEMBL8044713 0.68 SLC6A2 (0.34) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL2974474 0.68 TRPA1 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL11662214 0.68 CYP3A4 (0.35) TDP1ALDH1A1HPGDHSD17B10SLC6A2

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-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed