Sugi Predict

Sugi Predict / Compounds / SCHEMBL14019082

SCHEMBL14019082

SCHEMBL14019082

NS(=O)(=O)Oc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.43
▸ TRPA1 O75762 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ PTGS2 P35354 2/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PTGS1 P23219 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
SCHEMBL14019087 0.90 MAPK14 (0.42) MAPK14TRPA1MAPK11PTGS2SCN5A
SCHEMBL4840764 0.85 MAPK14 (0.42) MAPK14TRPA1MAPK11PTGS2SCN5A
SCHEMBL4013741 0.84 MAPK14 (0.41) MAPK14TRPA1MAPK11
SCHEMBL4837999 0.84 MAPK14 (0.43) MAPK14TRPA1MAPK11SCN5ASCN9A
SCHEMBL4844854 0.83 MAPK14 (0.48) MAPK14TRPA1MAPK11PTGS2SCN5A
SCHEMBL4842974 0.82 MAPK14 (0.41) MAPK14TRPA1MAPK11
SCHEMBL4839439 0.82 MAPK14 (0.46) MAPK14TRPA1MAPK11
SCHEMBL4840924 0.82 MAPK14 (0.49) MAPK14TRPA1MAPK11PTGS2SCN5A
SCHEMBL4013735 0.82 MAPK14 (0.40) MAPK14TRPA1MAPK11
SCHEMBL4841284 0.82 MAPK14 (0.39) MAPK14TRPA1MAPK11SCN5ASCN9A

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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed