SCHEMBL5604523

SCHEMBL5604523

CNc1ccc(-c2ccc(N)c(NC)c2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC2 Q92769 6/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.38
KIF11 P52732 2/20 0.37
ALOX15 P16050 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5605835 0.91 CYP3A4 (0.48) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL10412397 0.91 PRKCI (0.53) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL30291080 0.89 TDP1 (0.61) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL19494021 0.89 TDP1 (0.61) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL3787997 0.83 PRKCI (0.47) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL3783607 0.83 HDAC2 (0.46) TDP1MEN1KMT2AHDAC2HDAC3
Water SCHEMBL28643226 0.82 HDAC2 (0.45) TDP1MEN1KMT2AHDAC2HDAC3
SCHEMBL3785608 0.82 HDAC2 (0.62) MEN1KMT2AHDAC2HDAC3HDAC1
SCHEMBL3804750 0.82 MAPT (0.52) PRKCITDP1MEN1KMT2AHDAC2
SCHEMBL20495124 0.80 PRKCI (0.44) PRKCITDP1MEN1KMT2AHDAC2

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
EP-1462470-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2007-08-29 EP disclosed
US-20060241275-A1 Dielectric films and materials therefor NAGANO SHINYA 2006-10-26 US disclosed
EP-1462470-A1 Dielectric films and materials therefor Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed