SCHEMBL28873296

SCHEMBL28873296

N#Cc1cc(N)ccc1N1CCN(CCOC=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.42
RAD52 P43351 2/20 0.39
GFER P55789 1/20 0.39
NCF1 P14598 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 4/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 4/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL6052407 0.84 GAA (0.60) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL6052414 0.81 GAA (0.50) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL5857643 0.79 MAPT (0.53) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL28294734 0.78 LMNA (0.41) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL28296408 0.77 LTA4H (0.43) MAPTGAAHSD17B10LMNAKDM4E
Ethoxycarbonyl Group SCHEMBL28873297 0.76 GAA (0.48) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL28957487 0.76 GAA (0.43) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL28294730 0.76 ALDH1A1 (0.53) MAPTHSD17B10LMNAKDM4EDRD2
SCHEMBL5654064 0.74 MAPT (0.63) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL29703766 0.74 MAPT (0.63) MAPTGAAHSD17B10LMNAKDM4E

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-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN disclosed