SCHEMBL8444033

SCHEMBL8444033

C1=NO1.COC(=O)C(CBr)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
GLS O94925 3/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 3/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL1957995 0.91 KMT2A (0.58) KMT2AGLSESR1ESR2MEN1
SCHEMBL29213125 0.85 KMT2A (0.49) KMT2AGLSESR1ESR2MEN1
SCHEMBL5257603 0.78 KMT2A (0.55) KMT2AGLSESR1ESR2MEN1
SCHEMBL28559819 0.78 PTGS2 (0.56) KMT2AMEN1TSHRPTGS1PTGS2
SCHEMBL29170075 0.76 ESR1 (0.50) KMT2AESR1ESR2ALDH1A1
SCHEMBL4671453 0.76 MMP8 (0.53) KMT2AMEN1CYP2D6TSHRLMNA
SCHEMBL27640939 0.76 ESR1 (0.68) KMT2AESR1ESR2CYP2D6CYP2C9
SCHEMBL13282489 0.76 MMP8 (0.53) KMT2AMEN1CYP2D6TSHRLMNA
SCHEMBL174166 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL5812804 0.75 KMT2A (0.60) KMT2AESR1ESR2MEN1CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685313-B Preparation method of trifloxystrobin 江西天宇化工有限公司 2024-04-05 CN disclosed
CN-112898222-B Oxadiazole compound and preparation method and application thereof 长沙理工大学 2022-09-13 CN disclosed
CN-113308705-B Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2022-04-08 CN disclosed
CN-113308705-A Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2021-08-27 CN disclosed
CN-112898222-A Oxadiazole compound and preparation method and application thereof 长沙理工大学 2021-06-04 CN disclosed
CN-108863845-B Preparation method of trifloxystrobin and intermediate thereof 湖南大学 2021-01-01 CN disclosed
CN-108191709-B Method for preparing unsaturated oxime ether compound 沈阳中化农药化工研发有限公司 2020-03-24 CN disclosed
EP-0893433-A1 ALPHA-ALKOXYIMINOBENZYL DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed