SCHEMBL9624359

SCHEMBL9624359

CCN(CCO)c1ccc(N=Nc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KMT2A Q03164 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
PSMD14 O00487 1/20 0.55
MITF O75030 1/20 0.55
GSK3B P49841 3/20 0.52
GAA P10253 4/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 2/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL19831100 0.92 GSK3B (0.46) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL13725780 0.92 GSK3B (0.46) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL25485940 0.89 KMT2A (0.65) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL9176989 0.87 GSK3B (0.63) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL9176995 0.87 GSK3B (0.63) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL8988877 0.86 MAPT (0.52) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL12513087 0.85 NPC1 (0.50) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL12513624 0.84 RAB9A (0.52) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL4638072 0.83 KMT2A (0.59) MAPTKMT2ANPC1RAB9APSMD14
SCHEMBL4637916 0.83 KMT2A (0.59) MAPTKMT2ANPC1RAB9APSMD14

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-0305115-B1 IMPROVEMENTS IN OR RELATING TO RADIATION SENSITIVE COMPOUNDS E.I. du Pont de Nemours and Company (US) 1992-03-18 EP disclosed
US-4933452-A Radiation sensitive isocyanurate compounds AGFA-GEVAERT. N.V. (BE) 1990-06-12 US disclosed