SCHEMBL7208289

SCHEMBL7208289

CCOc1cccc(-c2cc(=O)n(C)c3c(C(O)(c4ccc(Cl)cc4)c4cnc(C)[nH]4)cccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.41
FNTB P49356 12/20 0.41
NTRK1 P04629 1/20 0.36
PGGT1B P53609 1/20 0.34
BACE1 P56817 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP3A4 P08684 1/20 0.33
RORC P51449 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4284857 0.87 FNTA (0.55) FNTAFNTBNTRK1CYP3A4
SCHEMBL5737090 0.84 FNTA (0.59) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL5735112 0.77 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6172596 0.76 FNTA (0.49) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL1682773 0.76 FNTA (0.67) FNTAFNTBCYP3A4
SCHEMBL6171352 0.74 FNTA (0.45) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL1683558 0.72 FNTA (0.79) FNTAFNTBCYP3A4RORC
SCHEMBL5736856 0.71 FNTA (0.73) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL6174338 0.71 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4RORC
Hydrochloric Acid SCHEMBL6807778 0.68 FNTA (0.55) FNTAFNTBCYP3A4

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
EP-1094839-B1 FARNESYL PROTEIN TRANSFERASE INHIBITORS WITH (IN VIVO) RADIOSENSITIZING PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2003-05-02 EP claimed