SCHEMBL9748294

SCHEMBL9748294

CN(C)CC(CN(C)C)OC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 2/20 0.33
HTR2A P28223 2/20 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
SCHEMBL31349925 0.85 GAA (0.43) GAAKMT2AMEN1MAOBMAOA
SCHEMBL7068865 0.84 GAA (0.47) GAAKMT2AMEN1MAOBMAOA
SCHEMBL31360 0.84 GAA (0.47) GAAKMT2AMEN1MAOBMAOA
SCHEMBL10135978 0.84 ALOX5 (0.44) GAAKMT2AMEN1MAOBMAOA
SCHEMBL29350844 0.84 GAA (0.47) GAAKMT2AMEN1MAOBMAOA
SCHEMBL7744480 0.84 MAOB (0.36) GAAKMT2AMEN1MAOBMAOA
SCHEMBL20024200 0.82 GAA (0.34) GAAKMT2AMEN1MAOBMAOA
SCHEMBL105838 0.82 GAA (0.41) GAAKMT2AMEN1MAOBMAOA
SCHEMBL6346630 0.82 GAA (0.42) GAAKMT2AMEN1MAOBMAOA
SCHEMBL31147994 0.82 GAA (0.42) GAAKMT2AMEN1MAOBMAOA

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-5096781-A Amine salts or quaternized compounds of 2,4-diphenyl-6-/2-/hydroxyphenyl/-s-triazine derivatives; color- and washfast inks for jet printing and recording CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
EP-0374751-A2 Water-soluble light-projecting materials CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed