SCHEMBL19601240

SCHEMBL19601240

C=C(C(C)c1ccc(CC(CC)(C(=O)c2ccc(N3CCNCC3)cc2)N(C)C)cc1)N1CC(C)N(C(=O)C(C)c2ccc(CC(CC)(C(=O)c3ccc(N4CCNCC4)cc3)N(C)C)cc2)CC1OC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.31

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
SCHEMBL19601247 0.91 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL19601244 0.88 MLNR (0.31)
SCHEMBL17269396 0.80 TSHR (0.39) MAPKAPK2
SCHEMBL19601377 0.80 TSHR (0.39) MAPKAPK2
SCHEMBL23152945 0.77 TSHR (0.48) MAPKAPK2
SCHEMBL23730285 0.77 TSHR (0.37) MAPKAPK2
SCHEMBL20988054 0.77 CTSK (0.37) MAPKAPK2
SCHEMBL19601366 0.77 MLNR (0.36) MAPKAPK2
SCHEMBL19601370 0.77 TSHR (0.36) MAPKAPK2
SCHEMBL17269435 0.77 TSHR (0.37) MAPKAPK2

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-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO disclosed