SCHEMBL13944056

SCHEMBL13944056

Cc1ccc(C(=O)N(c2ccc(Oc3ncc(Cn4nccn4)cc3C(F)(F)F)cc2C(=O)O)C(C)C)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.33
▸ F3 P13726 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ ASPH Q12797 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PTGER4 P35408 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
SCHEMBL11922607 0.92 F3 (0.32) F3F2
SCHEMBL11991471 0.85 LTC4S (0.33) GAAPTGER4
SCHEMBL11922602 0.81 SCN9A (0.32) SCN9A
SCHEMBL11922631 0.81 GRM2 (0.30) —
SCHEMBL11922578 0.80 HIF1A (0.37) KCNH2SCN9A
SCHEMBL11922627 0.79 PTGER4 (0.35) F3SCN9AGAAPTGER4
SCHEMBL11922621 0.78 PTGER4 (0.34) F3F2SCN9AGAAPTGER4
SCHEMBL13044775 0.78 GAA (0.34) F3F2SCN9AGAA
SCHEMBL11991523 0.78 F3 (0.31) KCNH2F3F2GAA
SCHEMBL11991470 0.77 DHODH (0.34) KCNH2F3SCN9AASPHPTGER4

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
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed
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