SCHEMBL8248239

SCHEMBL8248239

O=Nc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KMO O15229 2/20 0.40
DAO P14920 1/20 0.38
NOTUM Q6P988 5/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.36
PDE2A O00408 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.35
NPFFR2 Q9Y5X5 2/20 0.35
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GRM4 Q14833 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL14256899 0.84 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16478274 0.80 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL856525 0.79 MAPK1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10208080 0.76 HSD17B1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11287987 0.76 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9640565 0.75 TSHR (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11415074 0.74 MAPT (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11415043 0.74 MAPT (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14256874 0.73 AR (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30396176 0.73 MAPK1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed