SCHEMBL28116080

SCHEMBL28116080

NC(CC(=O)O)c1cncc(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
LTA4H P09960 3/20 0.48
FFAR1 O14842 4/20 0.45
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 3/20 0.44
SIRT3 Q9NTG7 3/20 0.44
P4HTM Q9NXG6 1/20 0.44
MEN1 O00255 1/20 0.43
CTSA P10619 1/20 0.43
MMP12 P39900 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL14698090 1.00 KMT2A (0.70) KMT2ASMN1; SMN2LTA4HFFAR1SIRT2
SCHEMBL14714255 0.85 KMT2A (0.52) KMT2ASMN1; SMN2LTA4HFFAR1SIRT2
SCHEMBL28116069 0.85 KMT2A (0.52) KMT2ASMN1; SMN2LTA4HFFAR1SIRT2
SCHEMBL6432788 0.81 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2FFAR1CTSA
SCHEMBL6432790 0.81 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2FFAR1CTSA
SCHEMBL5720973 0.81 KMT2A (0.72) KMT2ASMN1; SMN2LTA4HFFAR1MMP12
SCHEMBL2995320 0.81 KMT2A (0.72) KMT2ASMN1; SMN2LTA4HFFAR1MMP12
Hydrochloric Acid SCHEMBL5207164 0.80 KMT2A (0.71) KMT2ASMN1; SMN2LTA4HFFAR1MMP12
SCHEMBL6436537 0.78 KMT2A (0.44) KMT2ASMN1; SMN2FFAR1CTSA
SCHEMBL6436540 0.78 KMT2A (0.44) KMT2ASMN1; SMN2FFAR1CTSA

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