SCHEMBL7893446

SCHEMBL7893446

COc1cc(-n2c(=O)n3n(c2=O)CCCC3)c(F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PPOX P50336 2/20 0.41
HTR2A P28223 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10893043 0.84 PPOX (0.58) TSHRPPOXHTR2AMCOLN3LMNA
SCHEMBL7888762 0.76 PPOX (0.36) PPOXALDH1A1MAPTKDM4E
SCHEMBL7891292 0.73 PPOX (0.46) PPOX
SCHEMBL10985357 0.73 TSHR (0.35) TSHRLMNAMAPTHPGDNPSR1
SCHEMBL10883676 0.72 PPOX (0.56) TSHRPPOXMEN1KMT2AALDH1A1
SCHEMBL9710890 0.72 PRKDC (0.35) TSHRPPOXLMNAMEN1KMT2A
SCHEMBL10940936 0.71 PPOX (0.47) TSHRPPOXLMNAKMT2AALDH1A1
SCHEMBL10691744 0.71 PPOX (0.50) TSHRPPOXHTR2ALMNAMEN1
SCHEMBL7881673 0.71 CRHR1 (0.34) TSHRLMNAMEN1KMT2AGRIN2D
SCHEMBL10879269 0.70 PPOX (0.57) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed