SCHEMBL28565709

SCHEMBL28565709

Clc1ncc(Br)c(C2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ABL1 P00519 5/20 0.35
BCR P11274 5/20 0.35
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AXL P30530 1/20 0.31
RPS6KA5 O75582 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL16566107 0.92 ABL1 (0.36) KMT2AABL1BCRRPS6KA5MEN1
SCHEMBL7703222 0.80 ABL1 (0.34) KMT2AABL1BCRRPS6KA5MEN1
Hydrochloric Acid SCHEMBL2596286 0.79 ABL1 (0.33) ABL1BCRRPS6KA5
SCHEMBL25128539 0.77 ABL1 (0.33) ABL1BCR
SCHEMBL22279296 0.77 KMT2A (0.33) KMT2AABL1BCR
SCHEMBL20555325 0.77 KMT2A (0.37) KMT2ATDP1L3MBTL1AXLRPS6KA5
SCHEMBL24942753 0.76 KMT2A (0.55) KMT2ATDP1L3MBTL1AXLRPS6KA5
SCHEMBL2596088 0.76 ABL1 (0.38) ABL1BCR
SCHEMBL20555492 0.72 KMT2A (0.35) KMT2ARPS6KA5
SCHEMBL4579827 0.70 ABL1 (0.31) ABL1BCR

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-108117523-B Preparation method of halogenated uracil compound 上海医药工业研究院 2021-05-07 CN disclosed