SCHEMBL4369345

SCHEMBL4369345

CCOc1c(F)cncc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
FPR2 P25090 7/20 0.40
PDE4D Q08499 1/20 0.38
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4374780 0.76 HTR2A (0.38) HTR2AHTR2CHTR2BTUBB1FPR2
SCHEMBL25306691 0.76 AOC3 (0.36) AOC3EGFRLCKSMN1; SMN2
SCHEMBL30527763 0.76 AOC3 (0.36) AOC3EGFRLCKSMN1; SMN2
SCHEMBL4377263 0.76 AOC3 (0.36) AOC3FPR2PDE4DEGFRLCK
SCHEMBL4372081 0.75 ENPP1 (0.39) HTR2AHTR2CHTR2BTUBB1FPR2
SCHEMBL24952758 0.73 PDGFRB (0.38) SMN1; SMN2CYP1A1CYP1B1
SCHEMBL1619631 0.72 SMN1; SMN2 (0.52) HTR2AHTR2CHTR2BTUBB1FPR2
SCHEMBL12093640 0.72 TUBB1 (0.49) HTR2AHTR2CHTR2BTUBB1PDE4D
SCHEMBL21823505 0.72 HTR2A (0.51) HTR2AHTR2CHTR2BTUBB1FPR2
SCHEMBL31096259 0.72 HTR2A (0.51) HTR2AHTR2CHTR2BTUBB1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed