SCHEMBL29102453

SCHEMBL29102453

C=C(OBOc1ccccc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.38
CTNNB1 P35222 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 3/20 0.33
PARP1 P09874 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32

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
SCHEMBL674382 0.81 PARP10 (0.42) PARP10CTNNB1MEN1KMT2ATDP1
SCHEMBL28143256 0.77 CTNNB1 (0.42) PARP10CTNNB1KMT2ATDP1L3MBTL1
SCHEMBL4662559 0.75 PARP10 (0.44) PARP10CTNNB1MEN1KMT2ATDP1
SCHEMBL23327088 0.73 ELANE (0.41) TDP1MAPTL3MBTL1CYP3A4TSHR
SCHEMBL28790608 0.73 AOC2 (0.39) PARP10CTNNB1TDP1L3MBTL1ALOX15
SCHEMBL28591821 0.70 KMT2A (0.41) KMT2AMAPTL3MBTL1TSHRHSD17B10
SCHEMBL27700260 0.69 ELANE (0.45) KMT2ATDP1CYP2C19L3MBTL1TSHR
SCHEMBL27865849 0.69 LTA4H (0.33) MAPTL3MBTL1TSHRRECQLALOX15
SCHEMBL8885 0.68 LTA4H (0.50) TDP1L3MBTL1TSHRRECQLALOX15
SCHEMBL29102439 0.67 PARP10 (0.37) PARP10CTNNB1MEN1KMT2ATDP1

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-116802152-A Purification of bauxite ore using boric acid functionalized compounds 埃科莱布美国股份有限公司 2023-09-22 CN disclosed