SCHEMBL8628487

SCHEMBL8628487

O=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.50
CFTR P13569 4/20 0.46
CYP2C9 P11712 1/20 0.45
NAMPT P43490 3/20 0.41
GCGR P47871 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
SHMT2 P34897 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
FTO Q9C0B1 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39

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
SCHEMBL967780 0.90 EGLN1 (0.48) EGLN1GCGRSHMT2FTO
SCHEMBL8627737 0.89 EGLN1 (0.45) EGLN1
SCHEMBL8629874 0.87 EGLN1 (0.52) EGLN1NAMPTCA1CA2FTO
SCHEMBL8629988 0.87 EGLN1 (0.48) EGLN1FTOHIF1AN
SCHEMBL6567419 0.86 EGLN1 (0.51) EGLN1CA1CA2FTOHIF1AN
SCHEMBL6564105 0.85 EGLN1 (0.48) EGLN1NAMPTCA1CA2FTO
SCHEMBL8630076 0.85 EGLN1 (0.45) EGLN1
SCHEMBL8632203 0.84 EGLN1 (0.46) EGLN1FTOHIF1AN
SCHEMBL8625366 0.83 EGLN1 (0.44) EGLN1CA12CA1CA2
SCHEMBL8751144 0.83 EGLN1 (0.44) EGLN1CA12CA1CA2CA7

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 4 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
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN 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