SCHEMBL21603005

SCHEMBL21603005

C=CCOC(CCCOC(C)=O)Oc1ccc(Cl)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALOX12 P18054 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
CCR6 P51684 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL167829 0.78 KDM4E (0.52) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL21582022 0.76 MAPT (0.70) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL600770 0.74 KDM4E (0.44) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL600528 0.74 KDM4E (0.48) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL26602562 0.73 KDM4E (0.62) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL9131865 0.73 PKM (0.53) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL29514516 0.73 PKM (0.53) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL341039 0.73 PKM (0.53) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL21049498 0.72 KDM4E (0.71) KDM4EALOX12TDP1CYP3A4MAPT
SCHEMBL30493067 0.72 KDM4E (0.71) KDM4EALOX12TDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911633-A1 HERBICIDAL SUBSTITUTED N-TETRAZOLYL ARYL CARBOXAMIDES Bayer Aktiengesellschaft (DE) 2021-11-24 EP disclosed
EP-3853219-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES Bayer Aktiengesellschaft (DE) 2021-07-28 EP disclosed
WO-2020148175-A1 HERBICIDAL SUBSTITUTED N-TETRAZOLYL ARYL CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 WO disclosed
WO-2020058062-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 WO disclosed
WO-2020002083-A1 SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed