SCHEMBL6402873

SCHEMBL6402873

N#Cc1cc(N)c(Cl)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KHK P50053 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP3A4 P08684 4/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL30498666 0.88 GAA (0.57) GAAKDM4EMEN1MAPTHPGD
SCHEMBL7073779 0.88 GAA (0.57) GAAKDM4EMEN1MAPTHPGD
SCHEMBL31314338 0.88 GAA (0.50) GAAKDM4EMEN1MAPTHPGD
SCHEMBL8777742 0.82 CD44 (0.46) GAAMAPK1TRPV4KHKCSNK1A1
SCHEMBL28920245 0.82 GAA (0.44) GAAKDM4EMEN1MAPTHPGD
SCHEMBL23948546 0.82 KHK (0.47) GAAMAPK1TRPV4KHKCSNK1A1
SCHEMBL15407630 0.82 GAA (0.44) GAAKDM4EMEN1MAPTHPGD
SCHEMBL20045543 0.82 GAA (0.44) GAAKDM4EMEN1MAPTHPGD
SCHEMBL522162 0.81 TRPV4 (0.48) SMN1; SMN2MAPK1TRPV4KHKCSNK1A1
SCHEMBL240599 0.81 KDM4E (0.48) GAAKDM4EMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed
US-5117064-A Selective FUJI PHOTO FILM CO., LTD. (JP) 1992-05-26 US disclosed