SCHEMBL4092501

SCHEMBL4092501

CNc1ccc2c(c1)Sc1cc(NC)c(C(C)=O)cc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
GAA P10253 8/20 0.41
NOX1 Q9Y5S8 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALOX15 P16050 3/20 0.41
SNCA P37840 2/20 0.41
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
KCNH2 Q12809 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 4/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 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
SCHEMBL31657578 0.81 MAPT (0.37) MAPTGAANOX1MEN1KMT2A
SCHEMBL20495639 0.81 MAPT (0.37) MAPTGAANOX1MEN1KMT2A
SCHEMBL30448836 0.81 MAPT (0.37) MAPTGAANOX1MEN1KMT2A
SCHEMBL1925368 0.80 SNCA (0.50) MAPTGAANOX1MEN1KMT2A
SCHEMBL20488743 0.72 NOX1 (0.59) MAPTGAANOX1MEN1KMT2A
SCHEMBL9222790 0.72 GGT1 (0.36) MAPTGAANOX1MEN1KMT2A
SCHEMBL11148979 0.71 SNCA (0.42) MAPTGAANOX1MEN1KMT2A
SCHEMBL12038535 0.69 SNCA (0.40) MAPTGAANOX1MEN1KMT2A
SCHEMBL20398349 0.68 MAPT (0.48) MAPTGAANOX1MEN1KMT2A
SCHEMBL31488238 0.67 KCNH2 (0.65) MAPTGAANOX1MEN1KMT2A

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
EP-2057136-A2 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS Wista Laboratories Ltd. (SG) 2009-05-13 EP disclosed
WO-2008007074-A2 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2008-01-17 WO disclosed