SCHEMBL27673178

SCHEMBL27673178

NC(=O)Nc1cc(N(N)C(N)=O)c2[nH]c3ccccc3c2c1N(N)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
MAPT P10636 2/20 0.36
JAK2 O60674 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KLK7 P49862 1/20 0.36
PARP14 Q460N5 6/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
PRKCA P17252 4/20 0.34
CHEK1 O14757 1/20 0.34
CYP3A4 P08684 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKD3 O94806 1/20 0.33
CCNB2 O95067 1/20 0.33

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
SCHEMBL28762586 0.75 ALOX5 (0.36) MAPTTP53HTTKDM4EGAA
SCHEMBL27673157 0.72 ALOX5 (0.36) MAPTTP53HTTKDM4EGAA
SCHEMBL3877018 0.72 DYRK1A (0.42) DYRK1AMAPTJAK2TP53HTT
SCHEMBL28094791 0.65 KEAP1 (0.34) MAPTHTTKDM4EGAAMEN1
SCHEMBL27896796 0.62 GAA (0.39) DYRK1AMAPTHTTKDM4EGAA
SCHEMBL27540348 0.62 TSHR (0.36) MAPTHTTKDM4EGAACYP3A4
SCHEMBL18226812 0.62 MPL (0.63) MAPTJAK2TP53HTTKLK7
SCHEMBL28172033 0.60 TSHR (0.40) MAPTTP53KDM4EGAACYP3A4
SCHEMBL28346534 0.60 JAK2 (0.55) MAPTJAK2TP53HTTKLK7
SCHEMBL28853012 0.60 HSD17B10 (0.37) MAPTHTTKDM4EMEN1KMT2A

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-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed