SCHEMBL27673157

SCHEMBL27673157

NC(=O)Nc1cc(N(N)C(N)=O)c2c(oc3ccccc32)c1N(N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
PPARG P37231 1/20 0.34
NCOA1 Q15788 1/20 0.34
TP53 P04637 1/20 0.34
TEAD1 P28347 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
USP2 O75604 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 0.90 ALOX5 (0.36) ALOX5ALDH1A1GLAKDM4EGAA
SCHEMBL27673178 0.72 DYRK1A (0.37) KDM4EGAAMEN1KMT2ATP53
SCHEMBL3887278 0.70 POLB (0.41) ALOX5ALDH1A1GLAKDM4EGAA
SCHEMBL3885294 0.70 POLB (0.41) ALOX5ALDH1A1GLAKDM4EGAA
SCHEMBL29757921 0.68 GAA (0.54) ALOX5ALDH1A1GLAKDM4EGAA
SCHEMBL28164418 0.66 GAA (0.51) ALDH1A1GLAKDM4EGAAMEN1
SCHEMBL20240855 0.64 MAOA (0.57) ALDH1A1GLAKDM4EGAARAB9A
SCHEMBL27540348 0.63 TSHR (0.36) ALOX5ALDH1A1GLAKDM4EGAA
SCHEMBL27896796 0.63 GAA (0.39) ALOX5ALDH1A1KDM4EGAAKMT2A
SCHEMBL28094791 0.63 KEAP1 (0.34) ALDH1A1KDM4EGAARAB9ANPC1

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