SCHEMBL28116069

SCHEMBL28116069

CC(C)(C)OC(=O)CC(N)c1cncc(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LTA4H P09960 4/20 0.43
LNPEP Q9UIQ6 1/20 0.40
SIRT2 Q8IXJ6 7/20 0.40
SIRT3 Q9NTG7 6/20 0.39
SIRT1 Q96EB6 4/20 0.39
ALOX5 P09917 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
ALKBH1 Q13686 1/20 0.38
MEN1 O00255 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL14714255 1.00 KMT2A (0.52) KMT2ASMN1; SMN2LTA4HLNPEPSIRT2
SCHEMBL14698090 0.85 KMT2A (0.70) KMT2ASMN1; SMN2LTA4HSIRT2SIRT3
SCHEMBL28116080 0.85 KMT2A (0.70) KMT2ASMN1; SMN2LTA4HSIRT2SIRT3
SCHEMBL7947624 0.84 HDAC4 (0.33) KMT2ASMN1; SMN2
SCHEMBL7947620 0.84 HDAC4 (0.33) KMT2ASMN1; SMN2
SCHEMBL25453027 0.82 GGPS1 (0.35) KMT2AALOX5PRKCD
SCHEMBL3861123 0.81 MKNK1 (0.37) FFAR1
SCHEMBL3861120 0.81 MKNK1 (0.37) FFAR1
SCHEMBL30192558 0.77
SCHEMBL28116074 0.76 PPARA (0.45) LTA4H

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
CN-103906743-B The compound being combined with blood-platelet specific glycoprotein iib/iiia and the purposes of its thrombus imaging 皮拉莫尔影像股份公司 2016-12-28 CN disclosed