SCHEMBL28345671

SCHEMBL28345671

Nc1ccc(Cn2ncc3ncccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
GRIN1 Q05586 9/20 0.41
GRIN2B Q13224 9/20 0.41
MET P08581 4/20 0.40
TSHR P16473 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL31513725 0.86 RECQL (0.60) RECQLGRIN1GRIN2BTSHRALDH1A1
SCHEMBL2598348 0.81 GRIN1 (0.55) GRIN1GRIN2BALDH1A1
SCHEMBL30803766 0.80 GRIN1 (0.58) RECQLGRIN1GRIN2BALDH1A1PKM
SCHEMBL4831197 0.76 RECQL (0.75) RECQLMETTSHRHTR6ALDH1A1
SCHEMBL30803756 0.75 GRIN1 (0.60) GRIN1GRIN2BALDH1A1PKM
SCHEMBL19258535 0.74 SLC9A1 (0.46) GRIN1GRIN2B
SCHEMBL30035836 0.71 SLC9A1 (0.49) GRIN1GRIN2BMETTDP1
SCHEMBL25282474 0.70 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL18926937 0.70 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL14737592 0.70 RPS6KA5 (0.39) GRIN1GRIN2BMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110658167-B Method for applying silver-metal organic framework material as fluorescent probe to folic acid detection 天津师范大学 2021-12-14 CN claimed
CN-110658167-A Method for applying silver-metal organic framework material as fluorescent probe to folic acid detection 天津师范大学 2020-01-07 CN claimed
CN-110658167-B Method for applying silver-metal organic framework material as fluorescent probe to folic acid detection 天津师范大学 2021-12-14 CN disclosed
CN-110658167-A Method for applying silver-metal organic framework material as fluorescent probe to folic acid detection 天津师范大学 2020-01-07 CN disclosed