SCHEMBL28295914

SCHEMBL28295914

N#CCc1ccccc1COc1cccc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
PLAU P00749 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 2/20 0.35
ALOX15 P16050 2/20 0.35
ALKBH1 Q13686 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL28873233 0.80 KMT2A (0.38) KMT2ATDP1L3MBTL1HTR2AALDH1A1
SCHEMBL9231118 0.79 TSHR (0.43) KMT2AL3MBTL1HTR2AALDH1A1HPGD
SCHEMBL28294082 0.79 FOLH1 (0.41) KMT2ATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL10522223 0.77 MAOB (0.53) KMT2ATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL28295913 0.75 TP53 (0.57) KMT2ATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL8591079 0.72 ABCB1 (0.46) KMT2AALDH1A1MEN1HTR1AABCG2
SCHEMBL8594950 0.72 ALDH1A1 (0.43) KMT2ATDP1L3MBTL1ALDH1A1TSHR
SCHEMBL8592198 0.72 L3MBTL1 (0.49) L3MBTL1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL8596984 0.72 MCL1 (0.49) KMT2ATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL28325500 0.72 MTNR1A (0.44) KMT2ATDP1L3MBTL1ALDH1A1HPGD

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-109651190-A A kind of synthetic method of kresoxim-methyl 京博农化科技有限公司 2019-04-19 CN disclosed