SCHEMBL6598149

SCHEMBL6598149

COC(=O)C(Cl)Cc1c[c]c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30

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
SCHEMBL6594864 0.88 CYP2C9 (0.39) SLC6A3MAPK1MAPTALDH1A1ALOX15
SCHEMBL6596317 0.85 GAA (0.33) NOS2MAPK1MAPTALOX15ALOX12
SCHEMBL6592259 0.83 PTPN5 (0.32) ALOX15ALOX12TSHR
SCHEMBL5844807 0.82 NR3C1 (0.32) LMNA
SCHEMBL6597047 0.81 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHR
SCHEMBL6593588 0.78 SCN9A (0.30)
SCHEMBL6598100 0.76 HPGD (0.38) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL6596836 0.76 CYP3A4 (0.38) MAPK1MAPTALDH1A1ALOX15LMNA
SCHEMBL6593484 0.74 L3MBTL1 (0.37) MAPTALDH1A1LMNAHTTGAA
SCHEMBL28398954 0.73 DPP4 (0.49) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171879-C Herbicidal 3-aryl-1,2,4-triazole derivative 拜尔公司 2004-10-20 CN disclosed
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 EP disclosed
US-6743755-B2 HERBICIDAL COMPOSITION WHICH HAS A CONTENT OF AT LEAST ONE N-ARYL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OF THE GENERAL METHOD OF COMBATING UNDESIRABLE PLANTS WHICH COMPRISES ALLOWING AN N-ARYL NITROGEN-CONTAINING HETEROCYCLIC BAYER AKTIENGESELLSCHAFT (DE) 2004-06-01 US disclosed
EP-1120411-A2 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER AG (DE) 2001-08-01 EP disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 EP disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO disclosed