SCHEMBL19787860

SCHEMBL19787860

C/C(=N\[S+]([O-])C(C)(C)C)c1nc2ccc(F)cc2cc1-c1cccc(S(C)(=O)=O)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.31
NAAA Q02083 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL2730562 1.00 MAPK14 (0.31) MAPK14NAAAACSS2
SCHEMBL2718961 1.00 MAPK14 (0.31) MAPK14NAAAACSS2
SCHEMBL2730563 1.00 MAPK14 (0.31) MAPK14NAAAACSS2
SCHEMBL17549875 1.00 MAPK14 (0.31) MAPK14NAAAACSS2
SCHEMBL19787839 0.81 SCD (0.31)
SCHEMBL2717748 0.81 TYK2 (0.35) MAPK14NAAA
SCHEMBL2718963 0.79
SCHEMBL2718966 0.79
SCHEMBL3777197 0.74 PIK3CD (0.39) MAPK14
SCHEMBL2717040 0.74 PIK3CD (0.39) MAPK14

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
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed