SCHEMBL28378797

SCHEMBL28378797

N#Cc1cccc(NNC(=O)C(=O)NNc2cccc(C#N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.56
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.51
GRM4 Q14833 1/20 0.50
CLK1 P49759 1/20 0.49
HSD17B10 Q99714 2/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP7 P55210 1/20 0.49
IDO1 P14902 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7477235 0.82 PDK1 (0.57) MAPTKMT2AALDH1A1MEN1GAA
Oxalic Acid SCHEMBL28200075 0.78 MAPT (0.53) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL30606801 0.78 MAPT (0.87) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL29580531 0.78 MAPT (0.87) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11607569 0.77 PTPN11 (0.71) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL28377566 0.77 MAPT (0.50) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL31006474 0.77 GRM4 (0.78) HTTLMNAGRM4SMN1; SMN2NPC1
SCHEMBL28957449 0.77 GRM4 (0.78) HTTLMNAGRM4SMN1; SMN2NPC1
SCHEMBL6464794 0.76 MAPT (0.68) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL4901069 0.76 MAPT (0.68) MAPTKMT2AALDH1A1MEN1GAA

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-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN claimed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN disclosed