SCHEMBL13683530

SCHEMBL13683530

CCN1/C(=C\C=C2\C(=O)N(C)N=C2C(F)(F)F)Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 2/20 0.49
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.33
TNFRSF1A P19438 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 2/20 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
SCHEMBL13683518 0.90 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13683514 0.83 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13683630 0.82 RECQL (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13805785 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL12589963 0.81 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13683512 0.79 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13683532 0.78 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13751807 0.77 MEN1 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL12852237 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13683511 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 US disclosed
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 US disclosed