SCHEMBL11569604

SCHEMBL11569604

C(=C/c1ccccc1-c1cccc2[nH]nnc12)\c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NFE2L2 Q16236 3/20 0.38
TRPA1 O75762 2/20 0.38
ALK Q9UM73 1/20 0.37
CHEK1 O14757 1/20 0.35
DHFR P00374 1/20 0.35
GRM5 P41594 1/20 0.34
GRM4 Q14833 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 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
SCHEMBL11569610 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL11503726 0.88 NFE2L2 (0.42) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL31284820 0.88 NFE2L2 (0.42) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL29867823 0.86 NFE2L2 (0.41) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL28826844 0.80 XDH (0.43) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL30556736 0.79 METAP2 (0.38) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL31619990 0.79 METAP2 (0.38) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL3146080 0.76 METAP2 (0.31) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL39008 0.75 NFE2L2 (0.60) MEN1KMT2ANFE2L2TRPA1MAOA
SCHEMBL19031413 0.75 NFE2L2 (0.60) MEN1KMT2ANFE2L2TRPA1MAOA

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
EP-0002746-A1 Bleaching agent containing per-compounds and optical brighteners and its application in textile treatment Henkel Kommanditgesellschaft auf Aktien (DE) 1979-07-11 EP disclosed