SCHEMBL14224283

SCHEMBL14224283

Cn1c(O)c(N=Nc2c(C#N)c(C(C)(C)C)nn2-c2ccccn2)c(=O)n(C)c1=S

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GRM2 Q14416 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MPL P40238 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC11A2 P49281 1/20 0.31

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
SCHEMBL13996856 0.91 MAPT (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13996972 0.85 MAPT (0.35) MAPTALDH1A1RECQLKDM4EMEN1
SCHEMBL13996968 0.84 MAPT (0.35) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14227815 0.83 PKM (0.33) MAPTKDM4EMEN1KMT2AGRM2
SCHEMBL14227933 0.83 PKM (0.33) MAPTKDM4EMEN1KMT2AGRM2
SCHEMBL13996855 0.82 KDM4E (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14227893 0.81
SCHEMBL13996858 0.79 KMT2A (0.42) MAPTALDH1A1CYP3A4RECQLKDM4E
SCHEMBL13416958 0.79 KMT2A (0.42) MAPTALDH1A1CYP3A4RECQLKDM4E
SCHEMBL14001829 0.75

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
US-20080081285-A1 OPTICAL INFORMATION RECORDING MEDUM AND AZO-METAL COMPLEX DYE FUJIFILM CORPORATION (JP) 2008-04-03 US disclosed