SCHEMBL1980487

SCHEMBL1980487

CCN1C(=O)c2cc3ccc(C(=O)O)cc3n2[C@H](C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 14/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
RPS6KA3 P51812 4/20 0.38

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
SCHEMBL1977955 1.00 RPS6KA2 (0.41) RPS6KA2POLBKDM4EALOX15RPS6KA3
SCHEMBL1978721 0.90 RPS6KA2 (0.54) RPS6KA2RPS6KA3
SCHEMBL1979447 0.78 RPS6KA2 (0.41) RPS6KA2POLBRPS6KA3
SCHEMBL1979334 0.74 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1979337 0.74 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1977960 0.74 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1977964 0.74 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1977962 0.74 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1979747 0.72 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1978815 0.72 RPS6KA2 (0.64) RPS6KA2RPS6KA3

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-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed