SCHEMBL9872162

SCHEMBL9872162

C#CCOc1cc(-n2cc(C)c(C)c2)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
LMNA P02545 1/20 0.36
PPOX P50336 6/20 0.35
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TACR2 P21452 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADORA1 P30542 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL9873624 0.86 PPOX (0.35) PPOXPOLBL3MBTL1NR1I2ADRA2A
SCHEMBL10690143 0.82 PPOX (0.43) PGK1LMNAPPOX
SCHEMBL9661744 0.76 PGK1 (0.39) PGK1LMNAPPOXEGFR
SCHEMBL9663274 0.76 PGK1 (0.39) PGK1LMNAPPOXEGFRRXRA
SCHEMBL9662543 0.74 PGK1 (0.38) PGK1LMNAPPOXEGFR
SCHEMBL10560134 0.74 PPOX (0.37) PGK1PPOX
SCHEMBL10577109 0.73 PGK1 (0.35) PGK1LMNAPPOX
SCHEMBL9873152 0.73 PGK1 (0.35) PGK1LMNAPPOX
SCHEMBL7473479 0.73 PPOX (0.33) PGK1PPOXHPGD
SCHEMBL4077918 0.73 PPOX (0.40) PGK1LMNAPPOX

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
EP-0351641-A1 1-Phenylpyrrole NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP claimed
US-5017213-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1991-05-21 US disclosed
EP-0351641-A1 1-Phenylpyrrole NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP disclosed