SCHEMBL8628459

SCHEMBL8628459

O=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.46
NAMPT P43490 12/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP5 P45974 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL8632203 0.92 EGLN1 (0.46) EGLN1
SCHEMBL8629874 0.91 EGLN1 (0.52) EGLN1NAMPTUSP5CA1CA2
SCHEMBL6564105 0.88 EGLN1 (0.48) EGLN1NAMPTCA1CA2
SCHEMBL8627667 0.85 EGLN1 (0.51) EGLN1NAMPT
SCHEMBL8629451 0.83 EGLN1 (0.55) EGLN1
SCHEMBL6567419 0.83 EGLN1 (0.51) EGLN1CA1CA2
SCHEMBL6567197 0.83 EGLN1 (0.55) EGLN1
SCHEMBL8627737 0.83 EGLN1 (0.45) EGLN1
SCHEMBL8628487 0.82 EGLN1 (0.50) EGLN1NAMPTCYP2C9CA12CA1
SCHEMBL8629876 0.82 EGLN1 (0.51) EGLN1NAMPTUSP5

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
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed