SCHEMBL11067113

SCHEMBL11067113

CCOc1cc(-c2ccc(NC(C)=O)cc2)c(OCC)cc1[N+]#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 3/20 0.52
CYP1A2 P05177 2/20 0.52
LMNA P02545 1/20 0.52
RORC P51449 1/20 0.49
MAPT P10636 7/20 0.49
TTK P33981 1/20 0.45
MAPK8 P45983 1/20 0.45
RAB9A P51151 1/20 0.44
PRKCZ Q05513 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8974916 0.80 NQO1 (0.44) KMT2ATDP1MEN1CYP1A2LMNA
SCHEMBL8988230 0.79 ADORA3 (0.41) KMT2ATDP1MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL3805858 0.79 NQO1 (0.42) KMT2ATDP1MEN1CYP1A2MAPT
Sulfuric Acid SCHEMBL5679936 0.79 ALDH1A1 (0.40) KMT2ACYP1A2LMNAMAPTHTT
SCHEMBL11084460 0.78 ALDH1A1 (0.61) KMT2ATDP1MEN1CYP1A2LMNA
Sulfuric Acid SCHEMBL5679940 0.77 CA12 (0.39) KMT2AMEN1CYP1A2LMNAMAPT
Sulfuric Acid SCHEMBL5679930 0.76 CA12 (0.41) KMT2ATDP1MEN1LMNAMAPT
Trifluoromethanesulfonic Acid SCHEMBL11061865 0.72 PTGS2 (0.40) KMT2ATDP1MEN1LMNAMAPT
SCHEMBL4601732 0.72 TDP1 (0.57) KMT2ATDP1MEN1CYP1A2LMNA
Phenacetin SCHEMBL28124259 0.71 KMT2A (0.93) KMT2ATDP1MEN1CYP1A2LMNA

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
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed