SCHEMBL18408657

SCHEMBL18408657

CC(=O)N1c2ccc(CN(C)C)cc2Sc2cc(N(C)C)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NOX1 Q9Y5S8 1/20 0.43
SNCA P37840 4/20 0.41
BCHE P06276 6/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1208061 0.88 MAPK1 (0.67) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL29557693 0.88 MAPK1 (0.67) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL20737960 0.82 MAPK1 (0.56) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL11595006 0.82 MAPK1 (0.56) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1926806 0.81 NOX1 (0.69) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21752063 0.81 SNCA (0.60) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL8224985 0.81 MAPK1 (0.59) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21752026 0.78 SNCA (0.69) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL18408661 0.78 MAPK1 (0.55) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL10827710 0.77 MAPK1 (0.54) MAPK1MEN1KMT2ATDP1L3MBTL1

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-3121169-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WisTa Laboratories Ltd. (SG) 2017-01-25 EP disclosed