SCHEMBL4374787

SCHEMBL4374787

COc1c(O)cncc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TUBB1 Q9H4B7 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
BRAF P15056 2/20 0.31
RPS6KA3 P51812 1/20 0.31
IDO1 P14902 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL24952758 0.84 PDGFRB (0.38) BRAFPDGFRBPDGFRA
SCHEMBL4377263 0.78 AOC3 (0.36) MAPTCA12CA1CA9
SCHEMBL27387671 0.76 CYP11B2 (0.41) BRAFPDGFRBPDGFRA
SCHEMBL23091812 0.74 ALOX5AP (0.36) BRAFPDGFRBPDGFRA
SCHEMBL23143271 0.74 MAPT (0.37) MAPTBRAF
SCHEMBL16043969 0.71 TDP1 (0.50) TDP1TUBB1CYP3A4MAPTCA12
SCHEMBL15979195 0.70
SCHEMBL28783612 0.70 TDP1 (0.33) TDP1CYP3A4MAPTPDGFRBPDGFRA
SCHEMBL23143268 0.69 LOXL2 (0.46) PDGFRBPDGFRA
SCHEMBL23143277 0.69 CA1 (0.38) TDP1CA1

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