SCHEMBL17733985

SCHEMBL17733985

CCN(CCS)c1ccc(/C=C(\C)C2=CCN(C)C=C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16104201 0.80
SCHEMBL12215955 0.72 PTGS1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12215956 0.69 PTGS1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16070420 0.69
SCHEMBL12215953 0.68 PTGS1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28398182 0.67 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Iodide SCHEMBL29065960 0.66 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28381042 0.64 MAPT (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2639336 0.64 CHRM2 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2639335 0.64 CHRM2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed