SCHEMBL28046785

SCHEMBL28046785

CC(O)Cc1ccccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.40
DPP4 P27487 3/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RAB9A P51151 2/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2659054 0.84 GABRA1 (0.47) SLC6A2SLC6A4TSHRMAOBDPP4
SCHEMBL14478278 0.81 SLC6A2 (0.45) SLC6A2SLC6A4TSHRDPP4FAP
SCHEMBL14478275 0.81 SLC6A2 (0.45) SLC6A2SLC6A4TSHRDPP4FAP
SCHEMBL13003551 0.79 SLC6A2 (0.42) SLC6A2SLC6A4TSHRL3MBTL1MAOB
SCHEMBL25718869 0.79 L3MBTL1 (0.48) SLC6A2SLC6A4TSHRL3MBTL1MAOB
SCHEMBL5988255 0.79 GABRA1 (0.46) SLC6A2SLC6A4ALDH1A1MAPK1
SCHEMBL18997051 0.78 SLC6A2 (0.41) SLC6A2SLC6A4TSHRMAOBDPP4
SCHEMBL21316562 0.77 SLC6A2 (0.40) SLC6A2SLC6A4TSHRL3MBTL1MAOB
SCHEMBL28647388 0.76 SLC6A2 (0.45) SLC6A2SLC6A4TSHRDPP4FAP
SCHEMBL28346433 0.76 KMT2A (0.53) SLC6A2SLC6A4TSHRMAOBDPP4

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-105330565-B Novel method for catalytically synthesizing cyanobenzene derivative through copper 杭州师范大学 2017-05-24 CN disclosed
CN-105330565-A Novel method for catalytically synthesizing cyanobenzene derivative through copper UNIV HANGZHOU NORMAL 2016-02-17 CN disclosed